==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 12-FEB-10 3LSS . COMPND 2 MOLECULE: SERYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR E.T.LARSON,E.A.MERRITT,MEDICAL STRUCTURAL GENOMICS OF . 906 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 41 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 3 0 4 7 1 1 0 0 2 2 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 8 7 0 4 0 0 2 2 2 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 4 0 0 1 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 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 -2 A G 0 0 96 0, 0.0 209,-0.0 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 -70.2 36.3 33.8 101.0 2 -1 A S + 0 0 28 1,-0.0 2,-0.3 2,-0.0 212,-0.1 0.047 360.0 168.0 -55.6 144.9 33.7 31.1 100.5 3 0 A M - 0 0 47 211,-0.1 2,-0.7 371,-0.1 211,-0.2 -0.977 36.3-114.9-157.2 144.6 32.3 30.1 97.0 4 1 A M + 0 0 6 212,-1.0 2,-0.2 -2,-0.3 214,-0.2 -0.737 50.8 146.6 -88.4 111.7 30.2 27.3 95.5 5 2 A V - 0 0 11 -2,-0.7 105,-0.1 365,-0.2 3,-0.1 -0.834 49.1 -69.1-136.6 170.1 32.2 25.2 93.0 6 3 A L - 0 0 3 106,-0.5 2,-0.1 103,-0.4 -1,-0.1 -0.205 60.5 -86.5 -61.7 150.8 32.4 21.6 91.7 7 4 A D > - 0 0 4 1,-0.1 3,-0.8 2,-0.0 4,-0.4 -0.368 28.5-145.6 -59.7 127.8 33.9 18.7 93.9 8 5 A I G >> S+ 0 0 20 1,-0.2 3,-1.4 2,-0.2 4,-0.6 0.804 89.9 75.1 -65.1 -28.5 37.7 18.4 93.6 9 6 A Q G >4 S+ 0 0 45 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.781 86.7 59.8 -55.9 -33.3 37.6 14.6 93.9 10 7 A L G X4 S+ 0 0 50 -3,-0.8 3,-0.6 1,-0.2 -1,-0.3 0.816 101.6 55.5 -70.3 -26.9 36.3 14.1 90.4 11 8 A F G <4 S+ 0 0 3 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.687 91.1 73.0 -74.4 -20.4 39.4 15.8 89.0 12 9 A R G << S+ 0 0 101 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.2 0.227 89.7 64.7 -89.4 17.1 41.9 13.4 90.7 13 10 A D S <> S- 0 0 86 -3,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.996 80.2-130.6-140.0 133.7 41.2 10.5 88.5 14 11 A E H > S+ 0 0 157 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.889 110.0 49.3 -51.6 -45.3 42.0 10.3 84.7 15 12 A T H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.867 113.1 46.7 -65.5 -37.9 38.4 9.0 83.9 16 13 A G H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.876 109.2 53.6 -72.0 -37.9 36.8 11.8 86.0 17 14 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.914 109.5 49.3 -63.8 -40.6 39.0 14.5 84.4 18 15 A N H X S+ 0 0 83 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.854 107.7 53.9 -65.3 -36.5 37.9 13.3 81.0 19 16 A I H X S+ 0 0 76 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.928 112.0 45.9 -60.1 -43.3 34.2 13.4 82.1 20 17 A I H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.890 111.4 50.3 -69.4 -41.5 34.7 17.0 83.2 21 18 A R H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.931 112.1 48.8 -60.8 -45.6 36.5 18.0 80.0 22 19 A E H X S+ 0 0 97 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.940 111.8 48.0 -58.7 -49.3 33.8 16.4 77.9 23 20 A S H X S+ 0 0 4 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.893 110.0 54.1 -60.7 -37.7 31.1 18.3 80.0 24 21 A Q H <>S+ 0 0 1 -4,-2.6 5,-3.4 2,-0.2 3,-0.2 0.931 109.5 46.3 -59.9 -48.4 33.1 21.5 79.6 25 22 A R H ><5S+ 0 0 141 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.935 111.6 51.8 -60.7 -43.8 33.1 21.2 75.8 26 23 A R H 3<5S+ 0 0 98 -4,-2.5 97,-0.2 1,-0.3 -1,-0.2 0.759 109.6 50.0 -68.2 -24.2 29.4 20.4 75.7 27 24 A R T 3<5S- 0 0 17 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.370 117.5-115.1 -84.4 -1.0 28.7 23.5 77.8 28 25 A F T < 5S+ 0 0 96 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.856 76.9 129.1 61.5 38.0 30.8 25.6 75.4 29 26 A A < - 0 0 37 -5,-3.4 -1,-0.2 -6,-0.2 83,-0.1 -0.627 69.9 -78.1-114.7 174.8 33.2 26.2 78.2 30 27 A D > - 0 0 87 81,-0.3 3,-0.5 -2,-0.2 4,-0.2 -0.644 33.3-176.2 -82.5 114.7 37.0 25.7 78.4 31 28 A P T > S+ 0 0 24 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.820 79.7 71.9 -74.6 -28.2 38.2 22.1 78.8 32 29 A D T >> S+ 0 0 115 1,-0.3 4,-1.1 2,-0.2 3,-0.5 0.673 83.2 72.3 -57.9 -21.2 41.8 23.2 79.1 33 30 A I H <> S+ 0 0 13 -3,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.737 82.6 69.1 -67.7 -24.2 41.0 24.6 82.6 34 31 A V H <> S+ 0 0 0 -3,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.901 98.7 49.3 -62.4 -40.6 40.8 21.0 83.9 35 32 A D H <> S+ 0 0 90 -3,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.927 109.5 51.4 -62.6 -45.9 44.6 20.6 83.5 36 33 A A H X S+ 0 0 43 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.862 111.4 48.6 -59.2 -35.4 45.2 23.9 85.3 37 34 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.894 109.9 50.7 -72.9 -40.4 43.0 22.7 88.2 38 35 A I H X S+ 0 0 48 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 111.7 48.6 -62.6 -40.8 44.7 19.4 88.4 39 36 A E H X S+ 0 0 78 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.944 111.5 47.3 -67.4 -48.1 48.2 21.1 88.6 40 37 A A H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.918 114.7 48.7 -57.6 -41.8 47.1 23.6 91.3 41 38 A D H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.873 106.9 54.7 -66.9 -38.3 45.6 20.7 93.2 42 39 A K H X S+ 0 0 122 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.899 111.1 45.5 -61.9 -41.2 48.8 18.6 92.8 43 40 A K H X S+ 0 0 103 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.914 113.1 50.9 -65.6 -44.2 50.9 21.4 94.3 44 41 A W H X S+ 0 0 46 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.921 108.4 50.8 -60.2 -45.1 48.3 21.8 97.1 45 42 A R H X S+ 0 0 102 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.895 106.3 56.8 -62.1 -38.6 48.3 18.1 97.9 46 43 A R H X S+ 0 0 149 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.880 105.2 50.0 -56.5 -44.1 52.1 18.2 98.1 47 44 A T H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.885 112.3 48.5 -61.8 -38.9 51.9 21.0 100.8 48 45 A Q H X S+ 0 0 58 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.876 109.7 51.6 -72.1 -35.9 49.4 18.8 102.7 49 46 A F H X S+ 0 0 132 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.936 113.5 43.9 -62.9 -47.3 51.7 15.8 102.4 50 47 A L H X S+ 0 0 46 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.858 113.0 52.9 -65.6 -37.4 54.7 17.7 103.8 51 48 A T H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.914 109.3 47.2 -64.2 -47.2 52.5 19.3 106.5 52 49 A E H X S+ 0 0 124 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.900 115.3 47.9 -61.9 -40.1 51.2 15.9 107.8 53 50 A A H X S+ 0 0 35 -4,-1.9 4,-1.7 -5,-0.2 3,-0.4 0.964 111.7 47.4 -62.7 -54.1 54.8 14.6 107.8 54 51 A S H X S+ 0 0 9 -4,-2.8 4,-1.0 1,-0.3 -1,-0.2 0.783 106.7 57.7 -65.0 -30.3 56.4 17.5 109.6 55 52 A K H X S+ 0 0 116 -4,-1.9 4,-1.2 2,-0.2 3,-0.4 0.898 106.6 49.1 -63.7 -42.0 53.7 17.6 112.3 56 53 A K H X S+ 0 0 153 -4,-1.4 4,-1.5 -3,-0.4 -2,-0.2 0.876 109.6 53.0 -61.7 -38.1 54.6 13.9 113.1 57 54 A L H X S+ 0 0 72 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.694 99.2 63.2 -70.1 -21.7 58.3 15.0 113.2 58 55 A I H X S+ 0 0 32 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.2 0.899 105.3 45.5 -70.6 -39.6 57.4 17.8 115.7 59 56 A N H X S+ 0 0 90 -4,-1.2 4,-3.5 2,-0.2 5,-0.3 0.869 107.1 58.5 -66.7 -37.8 56.3 15.1 118.2 60 57 A I H X S+ 0 0 109 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.913 108.8 46.1 -55.9 -42.2 59.5 13.1 117.4 61 58 A C H X S+ 0 0 3 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.869 115.2 46.7 -67.2 -38.6 61.5 16.2 118.5 62 59 A S H X S+ 0 0 64 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.941 113.4 46.0 -69.0 -50.1 59.3 16.6 121.6 63 60 A K H X S+ 0 0 148 -4,-3.5 4,-2.0 1,-0.2 5,-0.2 0.868 111.4 54.5 -62.0 -38.1 59.4 12.9 122.7 64 61 A A H X S+ 0 0 29 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.926 110.8 43.9 -60.0 -49.6 63.2 12.8 122.1 65 62 A V H X S+ 0 0 28 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.862 112.8 53.6 -63.5 -38.7 63.8 15.8 124.4 66 63 A G H X S+ 0 0 45 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.849 114.9 39.7 -64.3 -36.8 61.4 14.4 127.0 67 64 A A H X S+ 0 0 60 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.861 117.5 48.2 -80.8 -40.8 63.3 11.0 127.1 68 65 A K H <>S+ 0 0 62 -4,-2.7 5,-0.8 -5,-0.2 3,-0.2 0.926 112.9 46.4 -63.4 -47.5 66.8 12.6 126.9 69 66 A K H ><5S+ 0 0 106 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.803 108.9 54.7 -74.3 -28.7 66.2 15.2 129.6 70 67 A K H 3<5S+ 0 0 185 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.794 105.6 55.0 -66.8 -29.8 64.6 12.6 131.9 71 68 A A T 3<5S- 0 0 62 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.415 119.5-119.8 -80.0 -1.5 67.9 10.7 131.3 72 69 A K T < 5 + 0 0 187 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.947 52.8 162.5 66.1 56.4 69.7 13.8 132.6 73 70 A E < 0 0 96 -5,-0.8 -1,-0.2 1,-0.1 -2,-0.0 -0.797 360.0 360.0-108.7 149.7 71.7 14.7 129.5 74 71 A A 0 0 118 -2,-0.3 3,-0.5 3,-0.0 4,-0.1 -0.121 360.0 360.0 -78.3 360.0 73.4 18.1 128.7 75 ! 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 76 100 A C > 0 0 75 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 125.5 71.4 16.7 120.8 77 101 A V H > + 0 0 8 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.941 360.0 50.8 -59.7 -50.8 68.7 18.4 122.9 78 102 A L H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.853 114.5 45.7 -54.4 -38.6 69.6 21.9 121.8 79 103 A Q H > S+ 0 0 138 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.926 110.2 52.7 -68.7 -47.5 69.5 20.7 118.1 80 104 A L H X S+ 0 0 28 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.873 110.0 49.4 -56.1 -40.9 66.1 18.9 118.7 81 105 A K H X S+ 0 0 127 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.912 111.6 48.0 -64.5 -44.6 64.7 22.1 120.1 82 106 A Q H X S+ 0 0 99 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.926 110.4 52.2 -61.4 -44.2 65.9 24.1 117.1 83 107 A L H X S+ 0 0 80 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.818 106.1 55.0 -62.8 -32.9 64.5 21.5 114.7 84 108 A S H X S+ 0 0 22 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.923 109.9 45.6 -64.9 -46.1 61.1 21.8 116.4 85 109 A K H X S+ 0 0 124 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.906 114.0 49.9 -61.7 -41.6 61.0 25.5 115.8 86 110 A D H X S+ 0 0 75 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.882 110.5 48.0 -68.6 -41.7 62.2 25.1 112.2 87 111 A L H X S+ 0 0 19 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.846 110.6 52.1 -64.3 -36.3 59.6 22.5 111.4 88 112 A S H X S+ 0 0 57 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.890 111.1 49.0 -66.8 -36.2 56.9 24.7 113.0 89 113 A D H X S+ 0 0 98 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.896 111.1 48.5 -65.0 -44.7 58.2 27.4 110.7 90 114 A Q H X S+ 0 0 73 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.914 110.8 50.6 -62.1 -45.7 58.1 25.2 107.7 91 115 A V H X S+ 0 0 25 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.899 110.5 49.9 -60.0 -40.4 54.5 24.1 108.5 92 116 A A H X S+ 0 0 57 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.906 113.1 46.4 -62.8 -42.9 53.5 27.8 108.8 93 117 A G H X S+ 0 0 40 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.861 110.5 52.9 -66.4 -38.1 55.1 28.4 105.4 94 118 A L H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.862 106.9 53.8 -65.3 -33.6 53.4 25.4 104.0 95 119 A A H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.878 105.7 50.7 -69.6 -42.0 50.0 26.7 105.2 96 120 A K H X S+ 0 0 146 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.873 114.4 45.6 -63.1 -38.0 50.4 30.1 103.6 97 121 A E H X S+ 0 0 106 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.910 110.0 53.6 -69.6 -46.9 51.2 28.4 100.3 98 122 A A H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.927 108.7 50.9 -50.8 -48.8 48.3 25.9 100.8 99 123 A Q H X S+ 0 0 120 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.911 110.1 48.3 -58.3 -45.8 46.0 28.9 101.2 100 124 A Q H X S+ 0 0 101 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.907 111.7 50.2 -62.2 -43.5 47.2 30.6 98.0 101 125 A L H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.869 109.4 50.2 -64.1 -39.1 46.8 27.4 96.0 102 126 A E H X S+ 0 0 69 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.868 110.8 50.8 -65.0 -38.7 43.2 26.7 97.3 103 127 A E H X S+ 0 0 105 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.925 113.2 44.4 -62.1 -47.5 42.3 30.3 96.3 104 128 A E H X S+ 0 0 92 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 115.5 48.7 -64.3 -44.1 43.8 29.8 92.8 105 129 A R H X S+ 0 0 25 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.957 112.9 45.3 -61.0 -54.9 42.2 26.4 92.4 106 130 A D H X S+ 0 0 44 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.862 111.9 52.6 -62.1 -37.1 38.7 27.5 93.5 107 131 A K H >< S+ 0 0 101 -4,-2.1 3,-0.7 -5,-0.2 4,-0.3 0.910 109.5 48.8 -68.2 -39.1 38.8 30.6 91.3 108 132 A L H >< S+ 0 0 50 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.908 106.4 59.4 -58.7 -41.4 39.7 28.4 88.3 109 133 A M H >< S+ 0 0 2 -4,-2.3 3,-2.3 1,-0.3 -103,-0.4 0.666 83.2 79.1 -64.3 -19.6 36.8 26.2 89.3 110 134 A L T << S+ 0 0 48 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.786 93.0 53.5 -56.9 -27.3 34.3 29.1 88.9 111 135 A N T < S+ 0 0 95 -3,-1.7 2,-0.6 -4,-0.3 -1,-0.3 0.336 93.1 88.0 -89.5 4.4 34.6 28.4 85.2 112 136 A V < - 0 0 0 -3,-2.3 -106,-0.5 -83,-0.1 2,-0.1 -0.917 63.4-158.3-111.5 117.1 33.7 24.6 85.6 113 137 A G - 0 0 1 -2,-0.6 228,-0.2 1,-0.2 227,-0.1 -0.380 32.2 -80.4 -86.6 163.8 30.0 23.6 85.6 114 138 A N - 0 0 3 226,-3.2 2,-0.3 225,-0.2 -1,-0.2 -0.216 63.6 -83.2 -55.4 152.7 28.3 20.6 86.9 115 139 A I - 0 0 46 1,-0.1 -1,-0.1 226,-0.1 -95,-0.1 -0.452 53.1-118.5 -67.2 122.3 28.5 17.5 84.8 116 140 A L - 0 0 14 -2,-0.3 228,-0.2 -3,-0.1 227,-0.1 -0.323 20.3-116.3 -64.6 140.3 25.8 17.7 82.1 117 141 A H > - 0 0 37 226,-2.8 3,-1.6 1,-0.1 -1,-0.1 -0.427 29.1-115.1 -66.3 152.2 23.1 15.1 81.9 118 142 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.680 113.1 57.5 -66.8 -18.2 23.3 13.1 78.7 119 143 A S T 3 S+ 0 0 49 2,-0.1 -1,-0.3 3,-0.0 225,-0.1 0.408 75.3 119.0 -91.7 -0.6 19.9 14.5 77.6 120 144 A V S < S- 0 0 6 -3,-1.6 214,-0.1 223,-0.2 2,-0.1 -0.454 71.6-114.3 -70.3 132.6 20.8 18.2 77.8 121 145 A P - 0 0 17 0, 0.0 214,-3.2 0, 0.0 2,-0.9 -0.456 23.8-129.1 -67.1 143.6 20.4 19.9 74.4 122 146 A I + 0 0 69 212,-0.2 2,-0.3 213,-0.1 -95,-0.1 -0.807 60.6 109.1-100.9 101.3 23.8 21.1 73.0 123 147 A A - 0 0 20 -2,-0.9 213,-2.8 -97,-0.2 214,-0.4 -0.970 58.0-142.2-168.5 154.3 23.4 24.7 72.0 124 148 A Q S S+ 0 0 134 -2,-0.3 2,-0.4 212,-0.2 -1,-0.1 0.703 85.5 60.6 -97.4 -24.0 24.6 28.1 73.2 125 149 A D > - 0 0 85 1,-0.1 4,-2.7 211,-0.0 5,-0.1 -0.926 65.3-151.2-118.9 127.2 21.4 30.1 72.4 126 150 A E H > S+ 0 0 88 -2,-0.4 4,-2.2 3,-0.2 -1,-0.1 0.840 89.3 62.9 -63.6 -41.8 17.9 29.4 74.0 127 151 A E H 4 S+ 0 0 191 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.936 127.3 15.1 -53.4 -50.2 15.6 30.7 71.2 128 152 A T H 4 S+ 0 0 115 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.782 129.5 55.7 -86.8 -32.9 16.9 28.0 68.9 129 153 A G H < S+ 0 0 7 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.2 0.732 78.9 88.8 -87.9 -27.9 18.6 25.8 71.5 130 154 A N < - 0 0 26 -4,-2.2 2,-0.5 -5,-0.1 203,-0.2 -0.441 69.9-136.5 -68.0 144.7 16.1 24.8 74.1 131 155 A T E -A 332 0A 70 201,-2.1 201,-3.0 -2,-0.1 2,-0.4 -0.915 11.1-130.4-107.0 128.3 14.2 21.6 73.3 132 156 A V E +A 331 0A 73 -2,-0.5 199,-0.3 199,-0.2 3,-0.1 -0.658 26.6 177.6 -78.8 130.3 10.4 21.6 73.9 133 157 A V E - 0 0 54 197,-3.3 2,-0.3 -2,-0.4 198,-0.2 0.860 60.1 -9.3-100.5 -46.3 9.4 18.5 75.8 134 158 A R E -A 330 0A 89 196,-1.0 196,-3.0 2,-0.0 -1,-0.4 -0.967 55.8-154.2-154.8 153.0 5.6 18.7 76.4 135 159 A T E -A 329 0A 93 -2,-0.3 2,-0.4 194,-0.2 194,-0.2 -0.945 6.5-161.1-132.7 156.0 2.8 21.3 75.9 136 160 A F E -A 328 0A 63 192,-2.9 192,-2.2 -2,-0.3 -2,-0.0 -0.998 48.7 -12.6-139.5 131.4 -0.5 21.8 77.7 137 161 A G S S- 0 0 50 -2,-0.4 2,-1.3 190,-0.2 189,-0.1 -0.191 105.7 -27.6 85.1-168.7 -3.6 23.7 76.6 138 162 A N > + 0 0 93 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 -0.720 58.0 175.6 -88.4 94.4 -4.3 26.2 73.9 139 163 A T T 3 S+ 0 0 30 -2,-1.3 -1,-0.2 1,-0.2 213,-0.1 0.219 77.1 54.7 -88.2 12.2 -0.8 27.7 73.5 140 164 A T T 3 S+ 0 0 106 211,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.308 77.9 133.6-118.2 1.4 -2.0 29.9 70.6 141 165 A K < - 0 0 64 -3,-1.0 2,-0.3 1,-0.1 215,-0.1 -0.188 42.2-151.7 -47.7 140.0 -4.9 31.5 72.5 142 166 A R - 0 0 169 213,-0.0 2,-0.3 214,-0.0 212,-0.2 -0.904 14.3-178.4-119.4 146.2 -5.2 35.3 72.1 143 167 A A - 0 0 30 210,-1.3 269,-0.1 -2,-0.3 268,-0.1 -0.926 28.7-119.6-140.8 167.3 -6.8 37.7 74.6 144 168 A K S S+ 0 0 167 -2,-0.3 2,-0.3 267,-0.1 -1,-0.1 0.984 84.4 39.2 -79.4 -62.7 -7.4 41.4 74.8 145 169 A L S S- 0 0 18 266,-0.1 209,-0.2 265,-0.1 210,-0.2 -0.718 71.5-131.5-101.5 140.5 -5.6 43.0 77.7 146 170 A N > - 0 0 53 -2,-0.3 4,-2.3 208,-0.2 5,-0.2 -0.352 37.9 -97.7 -76.6 166.3 -2.1 42.2 79.0 147 171 A H H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.813 122.1 54.7 -57.5 -33.1 -1.5 41.6 82.7 148 172 A V H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 110.5 45.2 -66.5 -47.8 -0.3 45.2 83.4 149 173 A S H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.884 113.6 51.2 -60.7 -42.2 -3.5 46.7 81.9 150 174 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 111.0 45.5 -62.0 -51.8 -5.7 44.3 83.8 151 175 A M H <>S+ 0 0 0 -4,-2.4 5,-1.4 1,-0.2 6,-0.6 0.834 114.1 50.1 -66.7 -30.6 -4.1 44.9 87.1 152 176 A E H ><5S+ 0 0 113 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.2 0.936 110.4 49.4 -67.7 -46.1 -4.3 48.7 86.5 153 177 A R H 3<5S+ 0 0 118 -4,-2.6 285,-2.4 1,-0.3 -2,-0.2 0.796 104.9 58.8 -66.1 -28.6 -8.0 48.5 85.5 154 178 A L T 3<5S- 0 0 4 -4,-2.1 -1,-0.3 283,-0.3 -2,-0.2 0.684 103.2-135.4 -65.5 -22.9 -8.7 46.5 88.6 155 179 A G T < 5S+ 0 0 23 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.740 77.0 109.4 71.0 24.2 -7.4 49.4 90.6 156 180 A M < + 0 0 29 -5,-1.4 19,-2.6 1,-0.1 2,-0.4 0.289 61.4 58.3-120.1 7.7 -5.5 46.8 92.7 157 181 A M E -J 174 0B 18 -6,-0.6 2,-0.5 17,-0.2 17,-0.2 -0.992 56.5-168.6-141.3 131.6 -1.9 47.4 91.8 158 182 A D E +J 173 0B 24 15,-2.7 15,-2.2 -2,-0.4 -6,-0.0 -0.970 24.3 151.0-124.8 117.4 0.2 50.5 92.1 159 183 A T + 0 0 48 -2,-0.5 11,-0.2 13,-0.2 12,-0.1 0.140 44.4 114.8-123.5 15.4 3.6 50.8 90.4 160 184 A S S >> S- 0 0 57 3,-0.1 4,-2.5 1,-0.1 3,-1.9 -0.054 88.9 -81.6 -77.6-177.9 3.5 54.5 89.9 161 185 A K H 3> S+ 0 0 163 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.735 122.8 72.9 -64.3 -23.9 5.8 57.2 91.5 162 186 A A H 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.2 556,-0.1 0.845 114.4 26.8 -52.1 -34.9 3.7 57.2 94.6 163 187 A V H X> S+ 0 0 0 -3,-1.9 4,-2.3 8,-0.1 3,-1.3 0.861 121.7 50.5 -93.9 -48.0 5.3 53.8 95.2 164 188 A T H 3X S+ 0 0 32 -4,-2.5 4,-2.1 1,-0.3 -3,-0.2 0.837 105.6 56.9 -69.8 -27.0 8.7 54.1 93.4 165 189 A S H 3< S+ 0 0 49 -4,-2.1 -1,-0.3 -5,-0.2 514,-0.2 0.709 116.0 39.0 -73.0 -16.9 9.6 57.4 95.0 166 190 A M H <4 S+ 0 0 0 -3,-1.3 510,-2.9 -5,-0.2 -2,-0.2 0.790 134.7 16.3 -88.7 -43.2 9.2 55.5 98.4 167 191 A A H < S- 0 0 3 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.387 104.6-112.2-123.3 -1.3 10.7 52.1 97.7 168 192 A G >< - 0 0 13 -4,-2.1 3,-1.3 -5,-0.3 -1,-0.3 -0.171 59.9 -19.1 89.1 176.9 12.8 52.5 94.4 169 193 A G T 3 S+ 0 0 47 1,-0.2 119,-0.1 -4,-0.1 3,-0.1 -0.166 125.5 14.8 -58.9 146.2 12.4 51.1 90.9 170 194 A R T 3 S+ 0 0 30 1,-0.2 118,-0.7 -11,-0.2 119,-0.3 0.614 90.0 138.1 65.0 16.9 10.1 48.1 90.3 171 195 A S < - 0 0 12 -3,-1.3 2,-0.3 116,-0.1 -1,-0.2 -0.541 30.3-175.6 -87.1 160.2 8.5 48.4 93.7 172 196 A Y - 0 0 5 -2,-0.2 2,-0.4 -9,-0.1 -13,-0.2 -0.990 25.9-141.2-155.6 152.8 4.8 47.9 93.9 173 197 A V E -J 158 0B 0 -15,-2.2 -15,-2.7 -2,-0.3 2,-0.4 -0.977 17.4-159.5-112.4 135.4 1.7 48.0 96.2 174 198 A L E -JK 157 670B 0 496,-2.1 496,-2.9 -2,-0.4 2,-0.3 -0.932 15.7-178.0-108.6 147.4 -1.0 45.3 95.8 175 199 A K E >> - K 0 669B 45 -19,-2.6 3,-1.6 -2,-0.4 4,-0.5 -0.916 38.5 -18.5-134.7 160.3 -4.5 46.0 97.2 176 200 A G H >> S+ 0 0 13 492,-1.9 4,-1.7 -2,-0.3 3,-1.1 -0.084 123.2 11.6 59.3-132.9 -7.9 44.4 97.6 177 201 A G H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.715 125.3 58.4 -55.6 -31.1 -8.7 41.4 95.4 178 202 A L H <> S+ 0 0 0 -3,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.827 105.4 49.3 -72.3 -32.9 -5.1 40.9 94.2 179 203 A V H <>S+ 0 0 0 -4,-1.6 5,-2.5 -3,-0.3 3,-0.9 0.860 110.5 57.4 -77.9 -38.9 2.8 20.2 98.2 194 218 A V H ><5S+ 0 0 34 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.926 105.3 53.3 -54.0 -44.7 1.8 19.0 101.7 195 219 A K T 3<5S+ 0 0 133 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.703 106.8 53.3 -66.1 -19.3 -0.6 16.6 100.0 196 220 A R T < 5S- 0 0 84 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.192 127.8 -93.2-103.7 15.9 2.3 15.3 97.9 197 221 A G T < 5S+ 0 0 49 -3,-1.8 2,-0.3 1,-0.3 65,-0.3 0.618 77.7 140.9 89.5 14.1 4.6 14.5 100.9 198 222 A Y < - 0 0 10 -5,-2.5 -1,-0.3 -8,-0.1 65,-0.3 -0.718 47.6-133.7 -87.1 141.9 6.5 17.8 101.2 199 223 A T E -b 263 0A 62 63,-3.1 65,-2.4 -2,-0.3 -5,-0.0 -0.839 26.3-118.8 -90.4 121.4 7.3 19.3 104.6 200 224 A P E -b 264 0A 4 0, 0.0 444,-1.9 0, 0.0 2,-0.4 -0.312 32.0-168.3 -57.1 144.9 6.6 23.0 104.8 201 225 A F E -bC 265 643A 0 63,-2.5 65,-2.6 442,-0.2 442,-0.2 -0.959 13.3-172.1-144.8 115.2 9.7 25.1 105.6 202 226 A Y E - C 0 642A 4 440,-3.0 440,-2.1 -2,-0.4 65,-0.1 -0.954 22.2-168.1-109.1 114.3 9.8 28.8 106.5 203 227 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 438,-0.1 -0.496 29.7 -90.8 -98.9 166.4 13.3 30.1 106.6 204 228 A P - 0 0 5 0, 0.0 435,-0.0 0, 0.0 437,-0.0 -0.507 30.8-139.4 -60.0 146.2 15.1 33.2 107.8 205 229 A F S S+ 0 0 1 -2,-0.1 33,-2.2 430,-0.1 2,-0.4 0.416 82.1 69.9 -92.1 0.6 15.3 35.8 105.0 206 230 A F E -S 237 0C 7 31,-0.2 2,-0.4 429,-0.1 31,-0.2 -0.938 58.4-175.8-115.5 140.4 18.9 36.7 106.0 207 231 A L E -S 236 0C 0 29,-2.2 29,-2.6 -2,-0.4 428,-0.2 -0.996 28.2-114.3-131.0 144.6 22.1 34.6 105.5 208 232 A N E > -S 235 0C 26 426,-2.8 4,-3.2 -2,-0.4 5,-0.2 -0.284 31.3-110.9 -63.1 155.6 25.6 35.4 106.7 209 233 A R H > S+ 0 0 53 25,-0.9 4,-2.4 1,-0.2 5,-0.1 0.906 116.5 53.4 -54.7 -47.3 28.3 36.0 104.0 210 234 A D H 4 S+ 0 0 89 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.941 116.2 37.4 -57.7 -49.0 30.1 32.8 104.9 211 235 A V H >> S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.7 0.917 113.0 55.6 -72.6 -43.7 27.0 30.6 104.6 212 236 A M H >X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.3 3,-1.1 0.877 101.4 61.6 -56.7 -39.7 25.6 32.5 101.5 213 237 A G H 3< S+ 0 0 0 -4,-2.4 -209,-0.3 -5,-0.2 -1,-0.3 0.654 99.6 54.6 -59.0 -20.1 28.9 31.8 99.8 214 238 A E H <4 S+ 0 0 33 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.657 119.2 30.8 -87.4 -19.9 28.4 28.0 100.0 215 239 A V H << S+ 0 0 3 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.2 0.399 111.7 69.7-119.5 -1.5 25.0 28.1 98.3 216 240 A A S < S- 0 0 0 -4,-1.4 -212,-1.0 -5,-0.2 2,-0.2 -0.944 77.9-121.5-121.8 141.9 25.3 31.1 96.0 217 241 A Q >> - 0 0 32 -2,-0.4 3,-1.8 -214,-0.1 4,-0.7 -0.535 33.6-114.4 -72.8 145.1 27.4 31.5 92.8 218 242 A L H >> S+ 0 0 69 1,-0.3 4,-0.8 -214,-0.2 3,-0.7 0.818 116.0 58.8 -54.8 -33.9 29.9 34.4 93.1 219 243 A S H 3> S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.744 93.6 66.8 -66.0 -26.5 28.1 36.3 90.3 220 244 A Q H <>>S+ 0 0 34 -3,-1.8 4,-2.1 2,-0.2 5,-1.9 0.827 94.4 57.5 -65.1 -32.0 24.9 36.2 92.4 221 245 A F H <<5S+ 0 0 27 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.904 112.9 41.6 -60.7 -40.5 26.5 38.5 95.0 222 246 A D H <5S+ 0 0 121 -4,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.924 129.0 23.3 -69.9 -48.0 27.0 41.0 92.2 223 247 A E H <5S+ 0 0 100 -4,-2.4 51,-2.8 51,-0.1 52,-0.3 0.705 132.4 18.8 -99.4 -24.1 23.7 40.8 90.3 224 248 A E T <5S+ 0 0 29 -4,-2.1 48,-2.1 -5,-0.3 2,-0.5 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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 0.0 386 413 A Q 0 0 84 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.0 34.4 2.9 100.7 387 414 A N + 0 0 166 2,-0.0 2,-0.3 -3,-0.0 -4,-0.1 0.480 360.0 66.0-109.0 -9.2 37.3 4.8 99.1 388 415 A V S S- 0 0 76 -6,-0.1 2,-0.6 -5,-0.0 -1,-0.0 -0.882 80.6-122.5-117.0 143.6 35.2 7.9 97.9 389 416 A K - 0 0 86 -2,-0.3 2,-0.3 -7,-0.0 -9,-0.1 -0.786 33.2-153.6 -79.8 123.4 33.5 10.6 100.0 390 417 A E E -Y 379 0D 30 -11,-0.6 -11,-2.7 -2,-0.6 2,-0.3 -0.784 9.8-166.0-101.8 147.9 29.8 10.6 99.0 391 418 A Y E -Y 378 0D 17 -2,-0.3 -13,-0.3 -13,-0.3 -18,-0.1 -0.906 26.9-100.6-128.0 152.8 27.5 13.5 99.2 392 419 A C - 0 0 0 -15,-2.2 2,-0.3 -2,-0.3 -92,-0.2 -0.208 34.9-121.8 -61.7 156.9 23.7 13.8 99.0 393 420 A H E -E 299 0A 23 -94,-2.8 -94,-2.5 -21,-0.1 2,-0.4 -0.813 27.4-161.2 -97.9 149.5 22.1 15.0 95.8 394 421 A M E -E 298 0A 0 -26,-1.9 -27,-1.6 -2,-0.3 2,-0.3 -0.998 9.9-177.4-135.3 136.4 19.9 18.1 95.9 395 422 A L E -EH 297 366A 0 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38.0 81.9 415 442 A T - 0 0 57 3,-2.7 3,-0.5 -271,-0.0 -2,-0.1 -0.796 53.5 -84.7-137.5-176.9 -13.4 38.8 80.7 416 443 A E S S+ 0 0 196 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.815 127.9 44.1 -57.9 -31.7 -15.0 42.2 79.9 417 444 A E S S- 0 0 101 1,-0.1 20,-2.5 19,-0.1 2,-0.3 0.591 124.3 -73.4 -94.9 -15.2 -15.9 42.7 83.6 418 445 A G E S- A 0 436E 0 -3,-0.5 -3,-2.7 18,-0.3 2,-0.5 -0.970 72.0 -32.6 158.5-145.8 -12.7 41.6 85.3 419 446 A V E -ZA 414 435E 0 16,-2.7 16,-2.7 -2,-0.3 2,-0.2 -0.980 48.0-137.9-119.2 121.6 -10.7 38.5 86.1 420 447 A V E - A 0 434E 35 -7,-2.5 14,-0.3 -2,-0.5 13,-0.1 -0.551 24.9-123.7 -71.7 135.6 -12.4 35.1 86.8 421 448 A I - 0 0 0 12,-2.4 5,-0.1 -2,-0.2 -1,-0.1 -0.744 29.7-107.1 -84.9 126.0 -10.8 33.3 89.7 422 449 A P >> - 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-1.0 -0.248 32.2-116.7 -47.1 134.4 -9.7 29.8 88.8 423 450 A D G >4 S+ 0 0 119 1,-0.3 3,-0.8 2,-0.2 -99,-0.1 0.849 111.1 54.9 -45.3 -47.2 -12.0 27.3 90.5 424 451 A V G 34 S+ 0 0 48 -101,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.741 106.9 50.7 -64.9 -23.7 -9.4 25.7 92.7 425 452 A L G X4 S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.2 4,-0.4 0.700 87.1 86.0 -86.6 -17.7 -8.4 29.0 94.3 426 453 A R G X<>S+ 0 0 54 -4,-1.0 5,-2.9 -3,-0.8 3,-1.6 0.858 86.9 50.2 -55.1 -45.4 -12.0 30.1 95.1 427 454 A P G 3 5S+ 0 0 103 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.718 107.1 58.1 -67.3 -17.7 -12.2 28.4 98.5 428 455 A Y G < 5S+ 0 0 46 -3,-1.6 -2,-0.2 1,-0.2 -241,-0.1 0.434 109.9 43.8 -88.8 -2.0 -8.8 30.0 99.4 429 456 A M T X 5S- 0 0 2 -3,-1.6 3,-2.4 -4,-0.4 -1,-0.2 -0.373 127.4 -82.4-139.0 61.5 -10.3 33.5 98.8 430 457 A M T 3 5S- 0 0 74 -3,-0.5 -4,-0.1 1,-0.3 -2,-0.1 0.653 81.7 -66.4 58.2 25.0 -13.7 33.5 100.5 431 458 A G T 3 > S+ 0 0 23 1,-0.2 3,-0.9 2,-0.1 4,-0.6 0.762 83.5 74.6 -75.2 -31.8 5.0 73.6 113.8 450 6 B Q G >4 S+ 0 0 47 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.824 92.7 53.7 -58.0 -38.1 1.9 75.8 113.3 451 7 B L G >4 S+ 0 0 61 -3,-0.3 3,-1.0 1,-0.2 -1,-0.3 0.794 101.4 61.6 -68.7 -28.1 0.5 75.1 116.8 452 8 B F G <4 S+ 0 0 2 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.709 95.3 61.9 -63.9 -25.8 3.8 76.3 118.3 453 9 B R G << S+ 0 0 111 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.2 0.305 92.8 74.5 -90.7 5.7 3.4 79.8 116.8 454 10 B D S <> S- 0 0 86 -3,-1.0 4,-3.2 1,-0.1 5,-0.2 -0.964 79.3-136.0-117.5 137.5 0.2 80.5 118.7 455 11 B E H > S+ 0 0 166 -2,-0.4 4,-1.8 2,-0.2 5,-0.1 0.909 106.8 44.6 -59.0 -47.4 0.4 81.3 122.4 456 12 B T H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 114.4 50.2 -64.4 -46.0 -2.6 79.1 123.4 457 13 B G H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.924 108.2 52.2 -55.9 -47.8 -1.2 76.3 121.2 458 14 B A H X S+ 0 0 3 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.880 110.2 49.6 -57.5 -39.1 2.2 76.5 122.7 459 15 B N H X S+ 0 0 90 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.865 107.3 53.5 -67.9 -38.8 0.6 76.2 126.2 460 16 B I H X S+ 0 0 62 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.886 111.7 46.9 -61.3 -39.7 -1.4 73.2 125.2 461 17 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.925 111.2 49.9 -69.2 -45.6 1.8 71.6 124.0 462 18 B R H X S+ 0 0 45 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.918 111.7 49.9 -58.5 -44.3 3.7 72.5 127.2 463 19 B E H X S+ 0 0 93 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.931 110.2 49.2 -59.8 -47.7 0.8 71.0 129.2 464 20 B S H X S+ 0 0 5 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.904 109.8 53.0 -57.4 -42.2 0.8 67.8 127.2 465 21 B Q H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-0.4 0.942 109.7 47.3 -58.5 -48.6 4.6 67.6 127.7 466 22 B R H ><5S+ 0 0 143 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.899 109.7 53.3 -59.0 -41.4 4.2 67.9 131.5 467 23 B R H 3<5S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 124,-0.2 0.786 109.2 49.7 -68.6 -25.1 1.4 65.3 131.5 468 24 B R T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.393 113.9-118.3 -84.8 -1.2 3.8 62.9 129.6 469 25 B F T < 5S+ 0 0 97 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.856 77.1 127.2 58.4 37.0 6.6 63.6 132.2 470 26 B A < - 0 0 36 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.599 69.5 -69.7-116.6 177.9 8.6 65.0 129.3 471 27 B D + 0 0 75 108,-0.3 -5,-0.1 -2,-0.2 -6,-0.1 -0.568 39.6 171.3 -82.7 120.1 10.3 68.3 128.8 472 28 B P S > S+ 0 0 29 0, 0.0 3,-3.6 0, 0.0 4,-0.4 0.893 75.7 69.0 -84.1 -46.7 8.2 71.5 128.5 473 29 B D T 3> S+ 0 0 127 1,-0.3 4,-0.8 2,-0.2 3,-0.4 0.678 88.4 71.5 -41.6 -27.3 11.2 74.0 128.6 474 30 B I H 3> S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.744 81.9 69.5 -62.4 -26.7 12.1 72.6 125.2 475 31 B V H <> S+ 0 0 0 -3,-3.6 4,-2.6 1,-0.2 -1,-0.2 0.905 96.6 51.4 -64.5 -42.2 9.1 74.3 123.6 476 32 B D H > S+ 0 0 96 -3,-0.4 4,-1.6 -4,-0.4 -1,-0.2 0.845 110.2 50.4 -57.3 -38.0 10.7 77.8 124.1 477 33 B A H X S+ 0 0 43 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.856 111.9 47.1 -70.5 -37.4 13.9 76.4 122.4 478 34 B I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.871 109.9 52.4 -68.4 -42.0 11.9 75.0 119.4 479 35 B I H X S+ 0 0 49 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.896 110.7 49.3 -59.1 -42.3 9.9 78.3 119.0 480 36 B E H X S+ 0 0 86 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.874 110.0 49.4 -66.7 -41.7 13.3 80.2 118.9 481 37 B A H X S+ 0 0 2 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.894 113.1 47.8 -65.3 -40.2 14.8 77.8 116.3 482 38 B D H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.805 107.5 56.0 -67.2 -33.6 11.6 78.2 114.2 483 39 B K H X S+ 0 0 116 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.951 107.3 49.0 -63.1 -50.2 11.8 82.0 114.6 484 40 B K H X S+ 0 0 93 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.888 112.2 50.6 -50.5 -43.5 15.3 82.0 113.2 485 41 B W H X S+ 0 0 60 -4,-1.6 4,-1.2 2,-0.2 3,-0.4 0.928 107.2 50.8 -64.4 -47.7 14.0 79.9 110.3 486 42 B R H X S+ 0 0 99 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.850 105.7 58.5 -61.7 -35.1 11.0 82.1 109.4 487 43 B R H X S+ 0 0 108 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.885 102.4 52.4 -57.7 -42.8 13.5 85.1 109.3 488 44 B T H X S+ 0 0 4 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.816 111.7 47.5 -65.0 -29.4 15.5 83.3 106.6 489 45 B Q H X S+ 0 0 65 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.864 108.8 53.0 -78.1 -38.4 12.3 82.9 104.6 490 46 B F H X S+ 0 0 111 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.949 114.7 42.2 -59.3 -47.6 11.2 86.5 105.1 491 47 B L H X S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.915 111.5 54.9 -67.2 -44.4 14.6 87.7 103.7 492 48 B T H X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.935 110.6 45.8 -55.3 -46.9 14.7 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