==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-07 2QVN . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX SAI-1; . AUTHOR E.T.LARSON,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PRO . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 0 2 2 3 2 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 4 A L 0 0 228 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.1 15.4 -2.5 11.9 2 5 A Q - 0 0 181 4,-0.0 4,-0.1 0, 0.0 3,-0.0 -0.990 360.0-152.9-147.4 157.5 15.0 -1.5 15.6 3 6 A E - 0 0 100 -2,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.744 42.1 -95.4-121.3 166.8 16.8 -0.2 18.6 4 7 A P S S+ 0 0 107 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 0.896 109.1 56.1 -51.5 -47.5 16.2 -0.6 22.4 5 8 A I S S- 0 0 21 26,-0.1 2,-1.3 1,-0.0 -2,-0.2 -0.783 72.0-149.1 -92.4 125.7 14.2 2.6 22.8 6 9 A D - 0 0 91 -2,-0.5 26,-0.1 -4,-0.1 -1,-0.0 -0.740 31.0-145.0 -85.4 87.5 11.1 3.2 20.6 7 10 A F - 0 0 38 -2,-1.3 2,-0.3 1,-0.1 26,-0.2 -0.171 16.5-103.6 -60.5 148.8 11.4 7.0 20.5 8 11 A L - 0 0 3 24,-3.2 2,-0.3 21,-0.2 -1,-0.1 -0.543 27.6-147.4 -76.6 133.2 8.3 9.1 20.4 9 12 A K >> - 0 0 90 -2,-0.3 3,-1.5 1,-0.1 4,-0.8 -0.766 23.0-120.9 -94.4 146.5 7.3 10.7 17.1 10 13 A K T 34 S+ 0 0 79 349,-0.3 4,-0.3 -2,-0.3 3,-0.3 0.786 113.7 58.2 -62.8 -22.5 5.5 14.0 17.3 11 14 A E T 34 S+ 0 0 129 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.762 104.1 52.6 -73.0 -25.4 2.5 12.5 15.5 12 15 A E T X4 S+ 0 0 57 -3,-1.5 3,-1.7 1,-0.2 4,-0.3 0.678 84.8 87.6 -82.7 -19.8 2.1 9.9 18.3 13 16 A L G >< S+ 0 0 8 -4,-0.8 3,-1.4 -3,-0.3 -1,-0.2 0.778 79.5 59.3 -57.0 -36.0 2.1 12.4 21.2 14 17 A K G 3 S+ 0 0 174 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.729 100.0 58.4 -67.1 -23.4 -1.7 13.1 21.2 15 18 A N G < S+ 0 0 128 -3,-1.7 2,-0.7 -4,-0.1 -1,-0.3 0.468 86.8 91.7 -85.0 -4.5 -2.4 9.4 21.9 16 19 A I < - 0 0 32 -3,-1.4 2,-0.8 -4,-0.3 315,-0.1 -0.849 57.7-166.5 -97.0 115.9 -0.4 9.3 25.1 17 20 A D > - 0 0 73 -2,-0.7 3,-1.0 1,-0.2 4,-0.4 -0.849 9.3-179.9-103.1 99.6 -2.4 10.1 28.2 18 21 A L G > S+ 0 0 18 -2,-0.8 3,-1.0 1,-0.2 -1,-0.2 0.752 77.4 71.8 -68.2 -25.6 0.0 10.8 31.1 19 22 A S G 3 S+ 0 0 89 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.792 95.9 52.5 -61.4 -28.1 -2.9 11.4 33.4 20 23 A Q G < S+ 0 0 155 -3,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.753 97.3 96.2 -72.2 -23.9 -3.6 7.6 33.3 21 24 A X < - 0 0 49 -3,-1.0 2,-0.1 -4,-0.4 -3,-0.0 -0.405 64.7-136.0 -95.0 144.5 -0.0 6.7 34.3 22 25 A S > - 0 0 67 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.345 43.0-100.4 -72.9 167.2 1.9 5.8 37.4 23 26 A K H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 124.9 54.0 -59.2 -41.2 5.4 7.4 37.9 24 27 A K H > S+ 0 0 159 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.906 110.8 44.9 -58.8 -44.2 7.0 4.2 36.7 25 28 A E H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.851 109.8 56.2 -72.7 -33.3 5.0 4.2 33.5 26 29 A R H >X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 3,-0.7 0.913 102.0 56.3 -59.8 -43.5 5.6 7.9 33.0 27 30 A Y H 3X S+ 0 0 61 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.794 100.3 58.1 -63.7 -28.4 9.4 7.3 33.1 28 31 A K H 3X S+ 0 0 92 -4,-1.0 4,-0.8 2,-0.2 -1,-0.3 0.859 109.6 45.8 -66.8 -33.4 9.0 4.9 30.2 29 32 A I H < S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.916 107.8 53.9 -61.0 -42.5 10.3 10.2 29.4 31 34 A K H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.820 105.6 54.5 -57.2 -33.7 12.9 7.7 28.3 32 35 A R H 3< S+ 0 0 59 -4,-0.8 -24,-3.2 -3,-0.3 -1,-0.2 0.531 80.6 104.3 -86.0 -7.4 11.2 7.6 24.8 33 36 A I S << S- 0 0 2 -3,-1.1 2,-1.2 -4,-0.6 -24,-0.1 -0.634 81.6-124.0 -66.9 124.4 11.4 11.4 24.3 34 37 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 84,-0.2 -0.651 40.7-155.8 -73.5 100.4 14.3 11.9 21.8 35 38 A K E -a 118 0A 1 82,-2.1 84,-2.8 -2,-1.2 85,-2.0 -0.563 24.1-165.3 -94.3 139.9 16.3 14.3 24.1 36 39 A C E -a 120 0A 1 -2,-0.3 2,-0.5 83,-0.2 268,-0.2 -0.977 16.5-167.4-118.5 111.3 18.8 17.0 23.1 37 40 A E E +a 121 0A 1 83,-2.8 85,-2.8 -2,-0.5 3,-0.2 -0.897 17.1 173.2-111.6 127.4 20.8 18.0 26.2 38 41 A L E + 0 0 0 -2,-0.5 2,-0.4 266,-0.3 -1,-0.1 0.594 67.0 51.7-106.2 -16.9 23.0 21.1 26.1 39 42 A H E + 0 0 0 265,-0.1 268,-2.0 234,-0.1 2,-0.4 -0.774 61.9 127.3-136.1 87.2 24.1 21.5 29.8 40 43 A C E -ab 123 307A 0 82,-0.8 84,-2.1 -2,-0.4 2,-0.9 -0.973 49.2-136.4-139.9 126.3 25.7 18.5 31.5 41 44 A H E > -a 124 0A 19 266,-3.3 3,-1.7 -2,-0.4 84,-0.2 -0.732 12.0-163.3 -83.5 105.4 29.1 18.7 33.3 42 45 A L G > S+ 0 0 2 82,-2.2 3,-1.8 -2,-0.9 83,-0.2 0.878 88.5 61.2 -55.4 -41.4 30.8 15.4 32.3 43 46 A D G 3 S+ 0 0 8 81,-0.6 -1,-0.3 1,-0.3 82,-0.1 0.627 115.6 33.2 -65.3 -13.0 33.3 15.8 35.2 44 47 A L G < S+ 0 0 9 -3,-1.7 266,-2.1 263,-0.2 267,-0.9 -0.021 93.5 109.7-127.3 30.3 30.4 15.6 37.6 45 48 A C < + 0 0 6 -3,-1.8 2,-0.3 264,-0.2 64,-0.1 -0.883 45.6 110.4-111.1 103.1 28.2 13.2 35.6 46 49 A F - 0 0 14 -2,-0.7 267,-0.2 268,-0.1 2,-0.2 -0.988 59.4-104.8-162.9 164.8 28.0 9.8 37.2 47 50 A S > - 0 0 47 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.516 35.8-112.4 -88.7 163.4 25.8 7.3 39.0 48 51 A A H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 119.3 52.8 -58.2 -47.2 26.0 6.5 42.8 49 52 A D H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 110.3 46.6 -56.4 -49.4 27.4 3.0 41.9 50 53 A F H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 112.0 51.1 -60.4 -43.8 30.1 4.4 39.7 51 54 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.939 110.4 46.9 -61.6 -48.2 31.2 7.0 42.2 52 55 A V H X S+ 0 0 8 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.861 107.3 58.0 -65.0 -35.1 31.5 4.6 45.1 53 56 A S H X S+ 0 0 75 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.901 107.1 48.7 -58.7 -42.9 33.5 2.2 43.0 54 57 A C H X S+ 0 0 5 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.940 108.9 51.8 -61.0 -49.4 36.0 4.9 42.4 55 58 A I H <>S+ 0 0 0 -4,-2.0 5,-3.1 1,-0.2 6,-0.5 0.832 116.7 40.9 -58.9 -33.0 36.3 5.8 46.1 56 59 A R H ><5S+ 0 0 88 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.817 105.2 62.8 -88.7 -31.2 36.9 2.1 46.8 57 60 A K H 3<5S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.895 115.8 34.2 -52.8 -42.7 39.3 1.4 43.9 58 61 A Y T 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.135 109.7-123.6-103.7 17.9 41.6 4.0 45.4 59 62 A N T < 5 + 0 0 113 -3,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.843 57.9 150.8 44.8 49.4 40.8 3.1 49.1 60 63 A L < + 0 0 45 -5,-3.1 -4,-0.1 1,-0.2 -1,-0.1 0.787 67.6 24.9 -85.5 -31.2 39.8 6.7 49.8 61 64 A Q > + 0 0 40 -6,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.463 64.5 157.7-134.3 66.8 37.2 6.2 52.6 62 65 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 77.5 51.5 -62.3 -29.5 37.8 2.9 54.3 63 66 A N T 3 S+ 0 0 156 2,-0.1 2,-0.4 0, 0.0 -2,-0.0 0.395 99.3 81.5 -89.9 1.3 36.0 3.9 57.5 64 67 A L S < S- 0 0 43 -3,-1.7 -3,-0.1 2,-0.0 2,-0.1 -0.851 73.1-131.6-108.7 144.2 32.8 5.0 55.6 65 68 A S > - 0 0 56 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.337 37.1 -98.3 -76.6 170.1 30.0 2.9 54.3 66 69 A D H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.912 126.8 45.5 -56.4 -47.3 28.6 3.3 50.7 67 70 A E H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 111.1 52.5 -64.7 -41.6 25.8 5.5 51.9 68 71 A E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.819 105.6 56.5 -64.3 -32.4 28.1 7.6 54.1 69 72 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.933 107.2 47.6 -61.3 -47.6 30.3 8.1 51.1 70 73 A L H X S+ 0 0 38 -4,-1.6 4,-2.0 1,-0.2 6,-0.3 0.863 113.2 47.8 -64.5 -39.5 27.5 9.6 49.1 71 74 A D H < S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.0 48.1 -65.6 -41.7 26.5 11.9 52.0 72 75 A Y H < S+ 0 0 99 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.853 125.1 24.9 -68.3 -37.3 30.1 13.0 52.5 73 76 A Y H < S+ 0 0 0 -4,-2.1 19,-0.3 -5,-0.1 -2,-0.2 0.763 111.7 58.9-101.4 -32.0 30.9 13.8 48.8 74 77 A L < - 0 0 5 -4,-2.0 238,-0.1 -5,-0.3 237,-0.1 -0.278 63.8-132.7-110.1-175.9 27.7 14.6 47.0 75 78 A F > + 0 0 3 236,-2.9 3,-1.6 235,-0.2 237,-0.1 -0.078 56.0 128.7-130.4 29.5 24.7 17.0 47.0 76 79 A A T 3 S+ 0 0 44 -6,-0.3 -1,-0.1 1,-0.3 236,-0.1 0.791 80.6 45.9 -63.9 -30.9 21.7 14.7 46.6 77 80 A K T 3 S- 0 0 164 1,-0.3 -1,-0.3 -3,-0.1 235,-0.1 0.411 112.2-132.5 -89.9 2.5 19.9 16.3 49.6 78 81 A G < - 0 0 17 -3,-1.6 -1,-0.3 203,-0.0 2,-0.2 -0.238 19.6-133.6 77.7-171.7 20.8 19.8 48.3 79 82 A G - 0 0 10 201,-2.6 3,-0.1 -3,-0.1 -4,-0.0 -0.852 29.6 -78.0-162.0-160.6 22.3 22.6 50.3 80 83 A K S S- 0 0 172 -2,-0.2 2,-0.3 1,-0.1 201,-0.1 0.705 93.3 -15.3 -91.0 -22.7 22.1 26.3 51.0 81 84 A S > - 0 0 35 1,-0.1 4,-1.6 199,-0.1 -1,-0.1 -0.975 66.4 -89.4-167.2 171.5 23.7 27.9 47.9 82 85 A L H > S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.872 122.4 59.6 -61.5 -40.5 25.8 27.7 44.8 83 86 A G H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.884 104.8 47.8 -55.2 -41.8 28.8 28.5 47.1 84 87 A E H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 110.4 52.4 -70.4 -37.2 28.1 25.3 49.1 85 88 A F H X S+ 0 0 19 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.917 106.6 53.4 -59.3 -45.7 27.8 23.3 45.9 86 89 A V H X S+ 0 0 15 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.861 109.7 46.9 -63.3 -39.1 31.2 24.5 44.6 87 90 A E H X S+ 0 0 114 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.856 112.2 50.5 -70.1 -35.8 33.0 23.5 47.8 88 91 A K H >X S+ 0 0 37 -4,-1.7 4,-1.2 1,-0.2 3,-0.8 0.909 106.7 54.6 -67.6 -41.9 31.3 20.1 47.8 89 92 A A H 3X S+ 0 0 5 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.823 99.9 62.0 -59.1 -35.8 32.3 19.6 44.1 90 93 A I H 3< S+ 0 0 30 -4,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.826 101.6 51.7 -59.0 -36.6 36.0 20.2 45.1 91 94 A K H X< S+ 0 0 62 -4,-0.8 3,-1.8 -3,-0.8 -1,-0.2 0.858 100.4 62.5 -68.4 -37.5 35.9 17.2 47.4 92 95 A V H >< S+ 0 0 0 -4,-1.2 3,-2.4 -19,-0.3 -1,-0.2 0.807 82.3 79.9 -59.0 -29.7 34.6 15.0 44.5 93 96 A A G >< + 0 0 0 -4,-0.9 3,-1.4 1,-0.3 -1,-0.3 0.565 67.5 89.7 -58.3 -8.0 37.8 15.7 42.7 94 97 A D G < S+ 0 0 34 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.752 81.2 58.6 -52.6 -29.3 39.3 13.0 44.9 95 98 A I G < S+ 0 0 1 -3,-2.4 2,-1.6 1,-0.2 3,-0.4 0.566 78.4 88.5 -83.3 -8.2 38.3 10.5 42.2 96 99 A F < + 0 0 3 -3,-1.4 38,-0.3 1,-0.2 -1,-0.2 -0.290 51.5 135.8 -84.3 55.6 40.4 12.2 39.5 97 100 A H - 0 0 76 -2,-1.6 2,-0.3 1,-0.1 -1,-0.2 0.820 67.8 -11.1 -75.1 -36.9 43.3 10.0 40.5 98 101 A D S > S- 0 0 41 -3,-0.4 4,-1.2 38,-0.0 3,-0.1 -0.919 72.2 -93.2-157.1 176.5 44.5 9.0 37.0 99 102 A Y H > S+ 0 0 70 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.678 115.0 62.6 -77.2 -18.7 43.7 9.0 33.3 100 103 A E H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 104.1 45.7 -71.4 -43.9 42.1 5.6 33.4 101 104 A V H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.854 111.7 53.9 -67.9 -33.7 39.3 6.6 35.8 102 105 A I H X S+ 0 0 7 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.899 109.3 47.1 -66.1 -43.6 38.7 9.7 33.8 103 106 A E H X S+ 0 0 30 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.915 113.8 48.4 -61.8 -45.8 38.3 7.7 30.6 104 107 A D H X S+ 0 0 56 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.885 109.1 52.9 -62.0 -42.0 35.9 5.3 32.4 105 108 A L H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.962 110.9 47.5 -57.4 -50.9 33.9 8.1 33.8 106 109 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.890 112.2 49.7 -55.8 -44.1 33.5 9.5 30.2 107 110 A K H X S+ 0 0 58 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.946 114.0 43.2 -64.4 -49.2 32.5 6.1 28.9 108 111 A H H X S+ 0 0 85 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.841 110.8 57.4 -66.7 -33.2 29.9 5.5 31.6 109 112 A A H X S+ 0 0 4 -4,-2.6 4,-1.5 -5,-0.3 -2,-0.2 0.943 111.7 41.0 -61.5 -49.0 28.6 9.1 31.3 110 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.931 113.5 53.4 -63.6 -46.9 27.9 8.6 27.5 111 114 A F H X S+ 0 0 74 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.895 108.1 49.3 -60.4 -42.3 26.5 5.1 27.9 112 115 A N H X S+ 0 0 36 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.858 107.9 53.4 -67.6 -35.6 24.0 6.1 30.6 113 116 A K H X>S+ 0 0 2 -4,-1.5 5,-2.7 2,-0.2 4,-0.5 0.907 109.5 50.3 -62.1 -41.8 22.7 9.1 28.5 114 117 A Y H ><5S+ 0 0 47 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.939 110.3 48.8 -56.4 -49.7 22.2 6.6 25.6 115 118 A K H 3<5S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.858 109.1 54.3 -59.8 -35.9 20.2 4.3 28.0 116 119 A E H 3<5S- 0 0 28 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.543 123.2-103.1 -77.0 -9.7 18.2 7.3 29.1 117 120 A G T <<5 + 0 0 0 -3,-1.3 -82,-2.1 -4,-0.5 2,-0.5 0.738 65.8 152.7 91.4 26.6 17.2 8.2 25.6 118 121 A V E < +a 35 0A 2 -5,-2.7 -1,-0.3 -84,-0.2 -82,-0.2 -0.779 14.3 174.0 -83.5 126.7 19.5 11.2 24.9 119 122 A V E S+ 0 0 1 -84,-2.8 42,-2.2 -2,-0.5 2,-0.4 0.673 71.0 40.4-105.7 -25.9 20.1 11.4 21.1 120 123 A L E S-ac 36 161A 0 -85,-2.0 -83,-2.8 40,-0.2 2,-0.5 -0.982 72.1-176.4-126.4 119.8 22.1 14.7 21.1 121 124 A X E -ac 37 162A 0 40,-2.9 42,-3.0 -2,-0.4 2,-0.9 -0.924 15.6-175.1-127.9 108.2 24.6 15.3 23.9 122 125 A E E - 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0 0 4 -3,-1.4 3,-1.3 1,-0.1 4,-0.4 -0.458 55.8-130.2 -66.5 130.4 10.5 27.4 39.2 291 294 A P T 3> S+ 0 0 28 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.623 92.2 86.5 -56.5 -18.5 10.9 30.4 36.7 292 295 A I H 3> S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.838 86.5 54.6 -53.8 -37.1 11.0 28.0 33.6 293 296 A R H <> S+ 0 0 59 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.948 111.4 42.3 -63.7 -49.7 7.2 28.1 33.5 294 297 A Q H > S+ 0 0 97 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.919 117.1 49.0 -61.1 -44.7 7.0 32.0 33.4 295 298 A L H <>S+ 0 0 0 -4,-2.9 5,-2.0 2,-0.2 4,-0.4 0.923 112.2 47.5 -61.4 -45.3 9.9 32.0 30.9 296 299 A Y H ><5S+ 0 0 21 -4,-3.2 3,-1.3 -5,-0.2 -2,-0.2 0.934 114.3 46.9 -60.6 -48.1 8.3 29.4 28.7 297 300 A D H 3<5S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.796 105.4 60.7 -62.4 -32.0 5.0 31.3 28.8 298 301 A A T 3<5S- 0 0 30 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.555 119.8-108.4 -75.4 -7.1 6.8 34.5 28.0 299 302 A G T < 5 + 0 0 45 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.546 69.3 145.8 92.3 7.9 8.0 33.1 24.7 300 303 A V < - 0 0 0 -5,-2.0 2,-0.5 -6,-0.2 -1,-0.3 -0.558 55.1-113.6 -74.0 139.9 11.7 32.7 25.7 301 304 A K E +h 270 0B 49 -32,-0.6 -30,-2.5 -2,-0.2 2,-0.3 -0.656 47.3 167.7 -76.4 124.8 13.5 29.7 24.3 302 305 A V E -h 271 0B 0 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.960 17.4-162.9-136.4 150.2 14.4 27.2 27.1 303 306 A S E -h 272 0B 0 -32,-2.0 -30,-1.4 -2,-0.3 2,-0.4 -0.919 23.4-112.5-132.1 164.6 15.7 23.7 27.2 304 307 A V E +h 273 0B 1 -2,-0.3 2,-0.3 -268,-0.2 -266,-0.3 -0.827 39.1 168.0-101.5 131.4 15.8 20.9 29.9 305 308 A N - 0 0 0 -32,-1.7 -265,-0.1 -2,-0.4 -268,-0.0 -0.942 35.8-143.1-141.0 159.1 19.2 19.8 31.2 306 309 A S - 0 0 0 -2,-0.3 2,-2.0 -267,-0.2 -266,-0.2 0.662 24.9-168.2 -99.3 -23.5 20.4 17.7 34.1 307 310 A D B S+b 40 0A 5 -268,-2.0 -266,-3.3 1,-0.1 -263,-0.2 -0.469 72.7 9.2 75.7 -77.8 23.6 19.7 35.0 308 311 A D > + 0 0 3 -2,-2.0 4,-2.3 -268,-0.2 3,-0.4 -0.643 59.3 175.1-141.1 75.3 25.4 17.3 37.4 309 312 A P H >>S+ 0 0 7 0, 0.0 5,-1.2 0, 0.0 4,-1.0 0.801 86.0 52.9 -49.6 -34.0 23.8 13.8 37.5 310 313 A G H 45S+ 0 0 0 -266,-2.1 -265,-0.2 2,-0.2 -235,-0.2 0.890 109.7 44.2 -70.4 -44.4 26.7 12.8 39.8 311 314 A X H 45S+ 0 0 0 -267,-0.9 -236,-2.9 -3,-0.4 -1,-0.2 0.879 125.3 33.7 -69.1 -36.2 26.3 15.6 42.4 312 315 A F H <5S- 0 0 4 -4,-2.3 -1,-0.2 -238,-0.1 -2,-0.2 0.486 99.0-129.8 -98.9 -5.7 22.5 15.3 42.5 313 316 A L T <5S+ 0 0 60 -4,-1.0 2,-0.2 -5,-0.3 -3,-0.2 0.908 72.4 112.5 51.2 46.1 22.2 11.5 42.0 314 317 A T < - 0 0 27 -5,-1.2 2,-0.3 -6,-0.2 -1,-0.2 -0.732 55.4-143.2-130.0 176.1 19.7 12.2 39.3 315 318 A N >> - 0 0 47 -2,-0.2 3,-1.5 -3,-0.1 4,-0.9 -0.907 38.4 -90.5-138.3 171.7 19.4 11.8 35.6 316 319 A I H >> S+ 0 0 1 -2,-0.3 4,-1.5 1,-0.3 3,-0.5 0.834 120.8 60.5 -51.9 -39.6 17.8 13.8 32.8 317 320 A N H 3> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.787 98.1 59.5 -65.3 -26.6 14.5 12.0 33.0 318 321 A D H <> S+ 0 0 36 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.897 101.8 52.4 -62.4 -43.5 14.1 13.1 36.6 319 322 A D H - 0 0 54 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.541 23.6-106.8-106.2 170.5 3.3 18.5 28.3 331 334 A L H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 122.6 55.0 -60.5 -40.2 4.9 16.1 25.8 332 335 A E H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 108.2 47.9 -59.6 -43.8 4.3 18.7 23.2 333 336 A D H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.953 112.6 49.1 -60.4 -49.7 6.2 21.3 25.3 334 337 A F H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.865 111.6 48.4 -59.6 -39.9 9.1 18.8 25.8 335 338 A X H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.929 112.3 49.6 -65.0 -45.6 9.3 18.0 22.1 336 339 A K H X S+ 0 0 96 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.917 110.6 49.1 -58.9 -47.3 9.3 21.7 21.2 337 340 A X H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.831 109.5 52.4 -65.1 -34.4 12.1 22.5 23.7 338 341 A N H X S+ 0 0 1 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.841 108.2 50.8 -70.2 -32.2 14.2 19.6 22.4 339 342 A E H X S+ 0 0 42 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.932 110.5 49.1 -71.1 -43.0 13.8 20.9 18.8 340 343 A W H X S+ 0 0 43 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.950 109.6 52.8 -52.4 -52.4 14.9 24.4 20.0 341 344 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.910 109.7 48.8 -49.7 -46.0 17.9 22.6 21.8 342 345 A L H >< S+ 0 0 5 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.930 111.1 49.4 -60.9 -45.0 18.7 21.0 18.5 343 346 A E H 3< S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.2 40.8 -63.5 -37.7 18.5 24.3 16.6 344 347 A K H 3< S+ 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.454 87.2 119.1 -94.1 -4.4 20.8 26.1 19.1 345 348 A S << - 0 0 6 -4,-1.0 7,-0.1 -3,-0.6 -307,-0.0 -0.315 64.1-137.4 -60.7 144.7 23.3 23.2 19.6 346 349 A F + 0 0 24 -308,-0.1 -1,-0.1 -127,-0.0 3,-0.1 0.428 66.0 120.6 -84.1 -1.6 26.9 24.0 18.7 347 350 A X S S- 0 0 13 1,-0.1 -184,-0.1 -5,-0.1 -225,-0.0 -0.151 81.7 -75.5 -58.8 155.9 27.2 20.6 17.0 348 351 A D >> - 0 0 87 1,-0.1 4,-2.3 2,-0.1 3,-0.5 -0.319 40.1-131.5 -57.1 132.7 28.1 20.4 13.3 349 352 A S H 3> S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.815 104.6 60.1 -61.6 -33.9 25.0 21.3 11.2 350 353 A N H 3> S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.905 110.4 42.1 -58.3 -42.3 25.4 18.2 8.9 351 354 A I H <> S+ 0 0 55 -3,-0.5 4,-1.8 1,-0.2 3,-0.4 0.927 112.7 53.4 -70.3 -45.1 25.1 15.9 12.0 352 355 A K H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.832 104.6 55.4 -60.6 -35.8 22.2 18.0 13.5 353 356 A D H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.846 106.0 51.0 -66.2 -37.1 20.2 17.8 10.2 354 357 A K H X S+ 0 0 154 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.884 110.9 48.6 -65.6 -40.1 20.3 14.0 10.3 355 358 A I H X>S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.6 0.908 110.9 51.4 -65.7 -43.0 19.1 14.0 13.9 356 359 A K H X5S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.939 113.3 44.0 -57.9 -50.5 16.3 16.4 12.9 357 360 A N H <5S+ 0 0 125 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.0 49.3 -64.5 -32.4 15.2 14.1 10.1 358 361 A L H <5S+ 0 0 111 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.876 131.9 8.4 -76.4 -39.5 15.5 11.0 12.2 359 362 A Y H <5 0 0 31 -4,-2.5 -349,-0.3 -5,-0.1 -3,-0.2 0.702 360.0 360.0-115.9 -28.5 13.6 12.2 15.3 360 363 A F << 0 0 42 -4,-2.0 -3,-0.2 -5,-0.6 -4,-0.1 -0.015 360.0 360.0-116.5 360.0 11.8 15.6 14.6