==== 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 TRANSFERASE 14-OCT-96 1UBV . COMPND 2 MOLECULE: FARNESYL DIPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.C.TARSHIS,P.PROTEAU,C.D.POULTER,J.C.SACCHETTINI . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 80.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 1 0.3 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 . 11 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 1 0 1 1 1 2 1 1 2 0 0 0 0 0 1 0 0 1 0 1 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 20 A S > 0 0 85 0, 0.0 4,-3.4 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 129.3 27.5 20.1 86.1 2 21 A P H > + 0 0 105 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.942 360.0 53.5 -48.0 -60.2 29.1 22.1 88.9 3 22 A V H > S+ 0 0 83 1,-0.2 4,-1.2 2,-0.2 5,-0.0 0.779 121.3 30.9 -45.8 -43.2 31.2 24.2 86.5 4 23 A V H > S+ 0 0 63 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.928 118.3 51.3 -83.6 -55.4 28.2 25.2 84.5 5 24 A V H X S+ 0 0 62 -4,-3.4 4,-3.1 1,-0.2 -2,-0.2 0.913 115.2 47.1 -48.6 -46.8 25.5 25.2 87.1 6 25 A E H X S+ 0 0 86 -4,-4.0 4,-4.0 -5,-0.4 5,-0.2 0.952 108.0 53.4 -62.7 -51.3 27.8 27.4 89.2 7 26 A R H X S+ 0 0 154 -4,-1.2 4,-1.6 -5,-0.3 -2,-0.2 0.925 112.7 44.1 -46.9 -52.3 28.7 29.8 86.4 8 27 A E H >X S+ 0 0 33 -4,-2.9 4,-2.1 1,-0.2 3,-1.6 0.986 112.4 55.6 -61.6 -47.5 25.0 30.4 85.7 9 28 A R H 3X S+ 0 0 120 -4,-3.1 4,-1.8 1,-0.3 3,-0.3 0.894 110.9 42.4 -46.0 -55.8 24.6 30.7 89.5 10 29 A E H 3X S+ 0 0 130 -4,-4.0 4,-1.4 1,-0.2 -1,-0.3 0.721 107.9 58.0 -69.3 -19.9 27.1 33.4 89.8 11 30 A E H << S+ 0 0 90 -4,-1.6 -1,-0.2 -3,-1.6 -2,-0.2 0.857 107.8 50.3 -75.3 -36.9 26.0 35.3 86.7 12 31 A F H >< S+ 0 0 0 -4,-2.1 3,-2.6 -3,-0.3 4,-0.5 0.987 111.7 44.5 -61.2 -62.7 22.6 35.6 88.3 13 32 A V H >< S+ 0 0 89 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.828 108.9 58.1 -49.6 -45.5 23.8 36.9 91.7 14 33 A G T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.465 97.4 63.8 -71.4 -2.3 26.1 39.3 90.1 15 34 A F T X> S+ 0 0 20 -3,-2.6 4,-1.4 1,-0.1 3,-1.1 0.606 75.8 92.8 -93.3 -14.4 23.3 40.9 88.3 16 35 A F H <> S+ 0 0 22 -3,-1.4 4,-3.3 -4,-0.5 -2,-0.1 0.859 79.3 53.1 -49.5 -47.1 21.4 42.2 91.4 17 36 A P H 3> S+ 0 0 55 0, 0.0 4,-3.9 0, 0.0 -1,-0.3 0.872 105.3 59.4 -58.4 -33.8 22.9 45.7 91.7 18 37 A Q H <> S+ 0 0 61 -3,-1.1 4,-2.9 2,-0.3 -2,-0.2 0.960 106.5 43.4 -59.4 -52.2 21.8 46.1 88.1 19 38 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.905 115.0 54.6 -59.7 -39.7 18.2 45.4 89.0 20 39 A V H X S+ 0 0 7 -4,-3.3 4,-1.6 -5,-0.2 5,-0.3 0.941 107.9 44.3 -61.1 -46.7 18.9 47.6 91.9 21 40 A R H X S+ 0 0 116 -4,-3.9 4,-2.9 2,-0.2 5,-0.4 0.927 112.7 56.8 -61.2 -43.0 20.2 50.6 89.8 22 41 A D H < S+ 0 0 30 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.958 109.3 42.5 -45.8 -68.4 17.3 50.0 87.5 23 42 A L H < S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.736 133.9 11.7 -52.0 -35.2 14.7 50.4 90.1 24 43 A T H >X S+ 0 0 6 -4,-1.6 4,-3.0 -5,-0.2 3,-0.8 0.690 89.7 97.4-121.7 -32.6 16.2 53.4 92.0 25 44 A E T 3< S+ 0 0 113 -4,-2.9 4,-0.4 -5,-0.3 -3,-0.1 0.804 100.2 34.0 -34.8 -50.6 19.0 55.2 90.2 26 45 A D T 34 S+ 0 0 146 -4,-0.5 3,-0.3 -5,-0.4 -1,-0.3 0.693 117.1 55.8 -85.3 -17.5 16.8 57.9 88.8 27 46 A G T X4 S+ 0 0 19 -3,-0.8 3,-1.8 1,-0.2 10,-0.3 0.852 90.0 78.9 -76.9 -36.1 14.5 57.8 91.8 28 47 A I T 3< S+ 0 0 83 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.715 100.4 33.1 -43.7 -38.8 17.4 58.5 94.2 29 48 A G T 3 S+ 0 0 67 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.263 79.9 140.1-106.9 15.0 17.8 62.3 93.6 30 49 A H <> - 0 0 87 -3,-1.8 4,-2.0 1,-0.2 5,-0.3 -0.380 53.1-138.1 -64.2 125.6 14.1 63.3 92.9 31 50 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.748 99.5 30.8 -53.2 -23.6 13.3 66.6 94.5 32 51 A E T 4 S+ 0 0 167 2,-0.0 3,-0.2 3,-0.0 4,-0.1 0.868 135.1 15.5-101.2 -54.9 9.9 65.1 95.6 33 52 A V T >> S+ 0 0 68 1,-0.1 4,-1.9 2,-0.1 3,-0.9 0.312 86.1 111.5-104.3 1.3 10.1 61.4 96.2 34 53 A G H 3X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.3 5,-0.1 0.859 78.0 55.9 -46.0 -38.2 13.8 60.9 96.4 35 54 A D H 3> S+ 0 0 150 -5,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.897 108.1 48.8 -61.7 -41.2 13.6 60.1 100.1 36 55 A A H X> S+ 0 0 66 -3,-0.9 4,-1.7 2,-0.2 3,-0.7 0.949 109.8 48.3 -64.1 -48.9 11.1 57.3 99.3 37 56 A V H 3X S+ 0 0 22 -4,-1.9 4,-1.7 -10,-0.3 -9,-0.2 0.821 107.0 60.8 -66.3 -27.0 13.1 55.7 96.5 38 57 A A H 3X S+ 0 0 46 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.3 0.852 105.6 43.6 -66.7 -34.7 16.0 55.8 98.8 39 58 A R H + 0 0 13 1,-0.1 4,-3.7 -41,-0.0 5,-0.3 0.444 55.5 134.7 79.8 0.7 17.9 31.6 93.5 54 73 A N H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.840 72.0 52.3 -49.5 -36.2 16.9 28.2 92.2 55 74 A R H >> S+ 0 0 45 2,-0.2 4,-0.7 1,-0.2 3,-0.6 0.998 114.2 36.3 -69.4 -63.2 13.7 29.8 91.1 56 75 A G H >> S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-1.0 0.912 116.3 57.5 -54.4 -42.5 15.0 32.7 89.1 57 76 A L H 3X S+ 0 0 16 -4,-3.7 4,-2.4 1,-0.3 -1,-0.3 0.884 92.3 68.6 -56.4 -41.5 17.8 30.5 87.9 58 77 A T H X S+ 0 0 3 -4,-2.4 3,-2.3 1,-0.2 4,-1.3 0.914 109.3 49.1 -50.3 -48.0 15.2 26.9 80.6 63 82 A Y H >X S+ 0 0 10 -4,-3.2 4,-3.5 1,-0.3 3,-1.5 0.954 108.5 56.6 -56.9 -46.3 15.7 29.6 78.0 64 83 A R H 3< S+ 0 0 109 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.688 109.7 44.7 -55.8 -21.5 19.1 28.2 77.4 65 84 A E H << S+ 0 0 92 -3,-2.3 -1,-0.3 -4,-0.8 -2,-0.2 0.666 123.4 36.4 -97.3 -14.2 17.5 24.9 76.6 66 85 A L H << S+ 0 0 29 -3,-1.5 -2,-0.2 -4,-1.3 -3,-0.2 0.837 92.1 87.1-101.0 -50.2 14.9 26.4 74.5 67 86 A S < - 0 0 12 -4,-3.5 145,-0.1 -5,-0.2 5,-0.1 -0.018 69.9-132.4 -48.7 161.3 16.3 29.4 72.5 68 87 A G > - 0 0 21 144,-0.0 3,-0.8 1,-0.0 -1,-0.1 -0.643 37.5 -84.5-109.9 174.6 17.9 28.6 69.2 69 88 A P G > S+ 0 0 129 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 0.797 127.7 63.7 -46.6 -33.7 21.3 29.8 67.9 70 89 A G G 3 S+ 0 0 66 1,-0.2 2,-1.2 2,-0.1 3,-0.2 0.943 100.2 48.5 -56.1 -57.6 19.4 32.9 66.8 71 90 A Q G < S+ 0 0 74 -3,-0.8 -1,-0.2 1,-0.2 -4,-0.1 -0.478 78.6 94.0 -89.3 62.7 18.3 34.1 70.3 72 91 A K < + 0 0 89 -2,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 -0.026 48.7 138.2-138.4 27.3 21.4 34.0 72.4 73 92 A D > - 0 0 68 -3,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.304 69.7-108.8 -66.8 168.0 22.4 37.5 71.9 74 93 A A H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.904 119.3 56.8 -66.3 -40.0 23.6 39.1 75.0 75 94 A E H > S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.977 107.8 47.2 -54.2 -54.0 20.5 41.3 75.1 76 95 A S H > S+ 0 0 15 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.894 109.4 54.5 -52.6 -42.0 18.3 38.2 75.2 77 96 A L H X S+ 0 0 26 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.918 104.8 53.7 -62.1 -43.3 20.4 36.6 77.8 78 97 A R H X S+ 0 0 91 -4,-2.4 4,-3.3 -3,-0.4 -1,-0.2 0.773 106.1 53.3 -58.8 -33.8 20.0 39.8 80.0 79 98 A C H X S+ 0 0 5 -4,-1.6 4,-3.0 -3,-0.3 -1,-0.2 0.811 104.1 55.0 -72.0 -34.2 16.2 39.5 79.8 80 99 A A H X S+ 0 0 3 -4,-1.6 4,-1.5 -3,-0.3 -2,-0.2 0.990 113.8 41.5 -60.8 -49.4 16.4 36.0 80.9 81 100 A L H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.915 116.9 48.0 -59.9 -48.1 18.3 37.2 84.0 82 101 A A H >X S+ 0 0 1 -4,-3.3 4,-1.5 1,-0.3 3,-1.0 0.997 110.8 49.5 -55.6 -64.6 16.1 40.2 84.4 83 102 A V H 3X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.3 -1,-0.3 0.752 110.7 57.0 -46.4 -18.9 13.0 38.0 84.0 84 103 A G H >X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 3,-0.6 0.914 100.9 50.0 -80.4 -47.7 14.7 35.8 86.6 85 104 A W H X S+ 0 0 5 -4,-2.3 4,-1.2 2,-0.2 3,-1.2 0.987 114.0 38.7 -50.9 -65.1 7.7 40.0 103.8 97 116 A A H >X S+ 0 0 30 -4,-1.6 4,-1.6 1,-0.3 3,-0.7 0.892 115.6 53.9 -47.8 -52.4 3.9 39.9 104.0 98 117 A D H 3< S+ 0 0 30 -4,-3.1 4,-0.4 1,-0.3 -1,-0.3 0.824 100.9 58.7 -61.3 -31.7 3.9 36.5 105.1 99 118 A D H XX>S+ 0 0 4 -4,-2.3 5,-2.2 -3,-1.2 4,-0.9 0.903 105.6 49.9 -67.2 -31.0 6.3 37.1 107.9 100 119 A I H <<5S+ 0 0 19 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.853 109.5 50.4 -71.2 -35.2 3.9 39.7 109.4 101 120 A M T 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 74,-0.2 0.439 117.0 40.6 -83.9 -1.1 0.9 37.4 109.3 102 121 A D T <45S- 0 0 44 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.500 101.3-133.3-119.0 -8.7 2.8 34.7 111.0 103 122 A Q T <5 + 0 0 122 -4,-0.9 -3,-0.2 -5,-0.1 -4,-0.1 0.981 43.2 178.2 58.5 53.0 4.5 37.0 113.4 104 123 A S < - 0 0 32 -5,-2.2 -1,-0.1 1,-0.1 3,-0.1 -0.350 27.5-153.3 -82.2 177.7 7.7 35.2 112.6 105 124 A L + 0 0 97 1,-0.3 7,-2.0 -2,-0.1 2,-0.3 0.704 66.3 26.6-118.6 -43.4 11.0 36.2 114.0 106 125 A T E +A 111 0A 90 5,-0.2 -1,-0.3 9,-0.0 2,-0.3 -0.865 51.0 170.9-129.6 158.2 13.7 35.2 111.6 107 126 A R E > S+A 110 0A 69 3,-3.1 3,-2.4 -2,-0.3 -8,-0.0 -0.854 73.5 0.7-165.0 132.8 14.3 34.6 108.0 108 127 A R T 3 S- 0 0 87 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.862 125.8 -68.0 63.0 27.8 17.2 33.9 105.7 109 128 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 143,-0.0 2,-0.3 0.653 118.5 106.4 64.5 7.7 19.1 34.2 109.0 110 129 A Q E < S-A 107 0A 35 -3,-2.4 -3,-3.1 -64,-0.0 2,-0.4 -0.724 84.4 -97.0-105.3 169.8 18.2 37.9 109.2 111 130 A L E -A 106 0A 64 -2,-0.3 -5,-0.2 -5,-0.2 5,-0.1 -0.706 57.5 -88.3 -82.5 135.3 15.6 39.3 111.5 112 131 A C >> - 0 0 0 -7,-2.0 4,-1.0 -2,-0.4 3,-1.0 -0.072 33.8-121.3 -45.3 137.6 12.3 39.8 109.7 113 132 A W G >4 S+ 0 0 4 1,-0.3 3,-1.1 2,-0.2 7,-0.5 0.931 113.8 55.5 -54.6 -43.2 12.0 43.1 107.9 114 133 A Y G 34 S+ 0 0 19 1,-0.2 6,-1.1 -18,-0.1 -1,-0.3 0.826 102.6 57.1 -59.7 -28.7 8.9 43.9 109.9 115 134 A K G <4 S+ 0 0 74 -3,-1.0 -1,-0.2 -10,-0.1 -2,-0.2 0.644 77.1 109.6 -74.0 -22.8 10.8 43.3 113.2 116 135 A K S XX S- 0 0 73 -3,-1.1 3,-1.7 -4,-1.0 4,-0.9 -0.406 83.3-111.4 -59.4 122.0 13.5 45.9 112.4 117 136 A E T 34 S+ 0 0 148 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.340 103.2 29.6 -52.1 135.4 12.8 48.8 114.8 118 137 A G T 34 S+ 0 0 80 -4,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.036 115.9 67.2 99.5 -26.5 11.4 51.9 113.0 119 138 A V T X4 + 0 0 21 -3,-1.7 3,-1.1 -6,-0.2 2,-0.7 0.881 60.0 133.2 -86.1 -89.3 9.8 49.7 110.4 120 139 A G T 3< S- 0 0 31 -6,-1.1 3,-0.5 -4,-0.9 -4,-0.1 -0.653 82.2 -0.5 81.4-121.2 7.0 47.7 111.9 121 140 A L T > S+ 0 0 114 -2,-0.7 3,-1.9 1,-0.2 4,-0.4 0.479 113.8 84.1 -89.1 -10.5 3.7 47.6 110.0 122 141 A D T X> S+ 0 0 88 -3,-1.1 3,-1.0 1,-0.3 4,-0.8 0.758 72.3 77.5 -60.4 -27.0 5.1 49.8 107.3 123 142 A A H >> S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.3 3,-0.5 0.787 79.2 73.5 -58.4 -17.4 6.5 46.6 105.9 124 143 A I H <> S+ 0 0 84 -3,-1.9 4,-1.0 1,-0.3 3,-0.3 0.974 102.2 37.9 -60.6 -46.5 2.9 46.2 104.7 125 144 A N H <> S+ 0 0 101 -3,-1.0 4,-1.8 -4,-0.4 -1,-0.3 0.603 110.6 61.7 -76.4 -16.1 3.5 48.8 102.1 126 145 A D H X S+ 0 0 123 -4,-1.0 4,-1.7 -5,-0.3 3,-0.7 0.995 109.4 43.7 -63.5 -49.8 3.6 46.2 98.0 129 148 A L H 3X S+ 0 0 69 -4,-1.8 4,-0.9 1,-0.3 -1,-0.2 0.752 108.3 57.0 -59.8 -32.0 6.5 48.2 96.4 130 149 A L H 3X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -1,-0.3 0.908 107.3 53.2 -63.9 -37.4 8.6 45.1 96.1 131 150 A E H XX S+ 0 0 53 -4,-1.7 3,-0.9 -3,-0.7 4,-0.6 0.899 108.5 45.3 -63.1 -46.8 5.6 43.8 94.1 132 151 A S H 3X S+ 0 0 52 -4,-1.7 4,-1.4 1,-0.3 -1,-0.2 0.691 99.2 71.7 -78.9 -7.9 5.5 46.6 91.7 133 152 A S H 3X S+ 0 0 5 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.3 0.866 91.5 60.9 -70.3 -30.2 9.2 46.5 91.3 134 153 A V H S+ 0 0 1 -4,-1.1 4,-3.1 2,-0.2 5,-0.6 0.920 109.1 51.6 -72.1 -43.3 9.7 43.8 82.9 139 158 A K H X5S+ 0 0 116 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.924 114.1 47.5 -61.0 -34.0 8.6 47.1 81.4 140 159 A K H <5S+ 0 0 126 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.830 126.4 23.1 -74.0 -36.1 12.2 48.0 81.4 141 160 A Y H <5S+ 0 0 24 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.781 133.4 28.9-100.0 -33.8 13.5 44.8 79.8 142 161 A C H <5S+ 0 0 0 -4,-3.1 3,-0.5 -5,-0.2 6,-0.2 0.301 79.3 111.3-111.8 -1.3 10.6 43.3 77.9 143 162 A R S < S- 0 0 84 -2,-0.5 3,-1.7 -3,-0.5 4,-0.3 -0.978 78.9-117.3-149.8 142.2 9.1 42.2 72.8 146 165 A P T 3 S+ 0 0 125 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.814 112.5 51.0 -55.6 -24.5 6.5 40.1 71.2 147 166 A Y T 3> S+ 0 0 21 1,-0.2 4,-1.9 64,-0.1 3,-0.4 0.334 73.8 108.8-100.1 10.9 5.9 38.3 74.5 148 167 A Y H <> S+ 0 0 44 -3,-1.7 4,-2.4 1,-0.2 3,-0.3 0.938 79.2 46.7 -52.7 -55.2 5.4 41.3 76.8 149 168 A V H > S+ 0 0 83 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.816 110.6 53.9 -58.6 -32.4 1.7 41.0 77.4 150 169 A H H > S+ 0 0 57 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.906 109.3 46.7 -65.4 -46.6 2.0 37.3 78.1 151 170 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.3 5,-0.4 0.987 113.7 49.4 -58.8 -61.8 4.7 37.8 80.8 152 171 A L H X S+ 0 0 42 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.899 116.5 42.3 -42.5 -47.4 2.6 40.6 82.3 153 172 A E H X S+ 0 0 122 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.908 112.8 55.1 -70.3 -39.9 -0.4 38.3 82.3 154 173 A L H X S+ 0 0 9 -4,-3.0 4,-2.1 -5,-0.2 5,-0.2 0.989 112.5 39.9 -53.8 -62.7 1.7 35.4 83.5 155 174 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.818 115.8 50.9 -53.7 -44.8 3.0 37.2 86.6 156 175 A L H X S+ 0 0 103 -4,-1.8 4,-2.0 -5,-0.4 -1,-0.2 0.944 110.6 48.8 -64.7 -43.6 -0.2 38.8 87.5 157 176 A Q H X S+ 0 0 112 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.916 111.5 47.6 -66.6 -42.2 -2.2 35.6 87.3 158 177 A T H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.918 104.8 61.0 -68.7 -35.5 0.2 33.7 89.4 159 178 A A H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.928 109.9 44.2 -52.3 -41.8 0.1 36.5 91.9 160 179 A Y H X S+ 0 0 140 -4,-2.0 4,-1.3 2,-0.2 -1,-0.3 0.942 110.5 51.5 -70.0 -49.1 -3.5 35.8 92.2 161 180 A Q H >X S+ 0 0 20 -4,-2.5 4,-1.4 1,-0.2 3,-0.7 0.941 112.0 47.2 -54.5 -47.6 -3.3 32.1 92.4 162 181 A T H 3X S+ 0 0 10 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.871 104.0 60.2 -64.9 -36.7 -0.8 32.1 95.1 163 182 A E H 3X S+ 0 0 102 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.828 106.1 49.7 -58.4 -28.3 -2.6 34.6 97.2 164 183 A L H X S+ 0 0 46 -4,-3.1 4,-2.2 1,-0.2 3,-0.7 0.928 110.6 47.8 -56.9 -49.3 -6.4 28.7 102.1 169 188 A D H 3X S+ 0 0 32 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.962 106.9 56.2 -55.3 -56.4 -3.5 28.2 104.4 170 189 A L H 3< S+ 0 0 56 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.725 112.9 41.1 -53.4 -24.8 -4.5 31.1 106.6 171 190 A I H << S+ 0 0 85 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.828 115.9 49.0 -89.5 -41.4 -7.9 29.7 107.2 172 191 A T H < S+ 0 0 2 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2,-1.3 -10,-0.2 -1,-0.2 0.287 79.3 105.6 -75.2 12.0 -9.2 21.1 108.8 183 202 A F < + 0 0 6 -3,-0.9 -1,-0.2 4,-0.1 2,-0.1 -0.391 47.4 156.5 -95.2 69.2 -6.1 19.2 108.1 184 203 A S > - 0 0 58 -2,-1.3 4,-2.8 1,-0.1 5,-0.1 -0.443 50.7-125.1 -85.6 162.8 -7.2 17.1 105.0 185 204 A E H > S+ 0 0 82 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.882 114.0 49.7 -71.0 -38.4 -5.0 15.6 102.3 186 205 A E H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 113.0 47.9 -68.3 -36.4 -7.0 17.4 99.6 187 206 A R H > S+ 0 0 67 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.961 113.0 46.2 -71.6 -44.7 -6.6 20.5 101.5 188 207 A Y H >X S+ 0 0 7 -4,-2.8 4,-3.4 2,-0.2 3,-0.5 0.993 113.8 49.1 -59.6 -53.4 -2.9 20.1 102.0 189 208 A K H 3X S+ 0 0 64 -4,-3.5 4,-1.6 1,-0.3 -1,-0.2 0.841 115.5 47.4 -55.1 -27.4 -2.5 19.2 98.3 190 209 A A H 3X S+ 0 0 23 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.3 0.836 107.6 51.1 -85.8 -27.8 -4.5 22.2 97.6 191 210 A I H S+ 0 0 6 -4,-3.4 5,-1.5 -5,-0.3 4,-0.8 0.845 105.4 57.7 -72.0 -31.9 0.5 23.3 98.1 193 212 A K H <>S+ 0 0 84 -4,-1.6 5,-1.3 -5,-0.3 -1,-0.2 0.953 119.6 27.7 -66.0 -42.3 -0.8 23.6 94.6 194 213 A Y H <5S+ 0 0 70 -4,-1.7 -29,-0.4 3,-0.2 5,-0.3 0.797 114.6 54.9 -88.4 -33.7 -1.5 27.3 95.0 195 214 A K H <5S- 0 0 65 -4,-2.4 -3,-0.2 -30,-0.3 -1,-0.1 0.659 132.1 -11.0 -79.4 -12.8 0.9 28.8 97.6 196 215 A T T X5S+ 0 0 18 -4,-0.8 4,-1.8 -5,-0.3 5,-0.3 0.584 116.2 73.6-151.0 -33.5 4.1 27.6 96.0 197 216 A A H >XS+ 0 0 3 -5,-1.5 4,-2.6 2,-0.2 5,-1.1 0.954 101.4 47.1 -58.6 -57.4 3.8 25.1 93.1 198 217 A F H 4XS+ 0 0 10 -5,-1.3 5,-2.7 1,-0.2 3,-0.2 0.995 121.7 33.6 -54.0 -64.0 2.6 27.6 90.7 199 218 A Y H 45S+ 0 0 16 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.717 121.5 48.8 -70.5 -14.4 5.1 30.3 91.3 200 219 A S H <5S+ 0 0 5 -4,-1.8 -1,-0.2 3,-0.1 -3,-0.2 0.805 129.0 7.7 -94.5 -30.1 8.0 28.0 92.1 201 220 A F T X5S+ 0 0 16 -4,-2.6 4,-1.6 -5,-0.3 5,-0.2 0.759 129.6 39.9-111.1 -64.2 7.9 25.6 89.2 202 221 A Y H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.922 118.9 39.5 -59.4 -48.7 9.8 30.0 85.8 205 224 A V H >X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 3,-0.8 0.951 112.3 56.2 -67.0 -48.3 9.5 27.5 82.9 206 225 A A H 3X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.831 105.2 55.0 -52.6 -33.4 6.3 29.2 81.6 207 226 A A H 3X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.848 109.0 44.7 -70.5 -32.6 8.2 32.5 81.3 208 227 A A H X>S+ 0 0 2 -4,-1.9 5,-2.3 1,-0.2 3,-1.4 0.997 109.6 41.5 -68.8 -57.7 8.4 29.2 77.0 210 229 A Y H 3<5S+ 0 0 38 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.754 109.3 62.2 -58.9 -27.1 6.6 32.4 76.0 211 230 A M H 3<5S+ 0 0 15 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.886 107.0 42.1 -75.9 -23.5 9.9 34.0 75.6 212 231 A V H <<5S- 0 0 32 -3,-1.4 -1,-0.2 -4,-1.3 -2,-0.2 0.480 128.7 -99.1 -93.4 3.6 10.8 31.6 72.9 213 232 A G T <5S+ 0 0 48 -4,-0.6 2,-1.6 -3,-0.4 -3,-0.2 0.444 77.2 138.3 101.1 3.6 7.3 32.0 71.4 214 233 A I < + 0 0 20 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.680 10.8 143.1 -85.8 96.3 5.7 28.9 72.8 215 234 A D + 0 0 86 -2,-1.6 -1,-0.2 -3,-0.1 5,-0.1 0.402 19.7 138.6-109.5 -0.2 2.4 30.4 73.7 216 235 A S >> - 0 0 34 -3,-0.2 4,-2.2 1,-0.2 3,-1.0 -0.159 51.0-140.8 -45.8 126.4 0.4 27.3 72.7 217 236 A K H 3> S+ 0 0 129 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.921 101.1 48.8 -62.1 -45.0 -2.2 26.9 75.3 218 237 A E H 3> S+ 0 0 119 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.615 106.3 59.3 -76.6 -2.1 -2.1 23.2 75.4 219 238 A E H <> S+ 0 0 16 -3,-1.0 4,-2.4 2,-0.2 5,-0.3 0.835 102.2 52.2 -91.1 -28.9 1.7 23.5 75.7 220 239 A H H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.897 109.3 53.0 -70.5 -22.7 1.4 25.4 78.8 221 240 A E H X S+ 0 0 53 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.940 104.7 50.7 -79.1 -36.3 -0.8 22.6 79.9 222 241 A N H X S+ 0 0 29 -4,-1.4 4,-1.4 1,-0.2 5,-0.2 0.934 116.5 45.2 -61.9 -40.4 1.8 19.9 79.1 223 242 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.949 109.4 52.8 -63.5 -52.6 4.2 22.0 81.1 224 243 A K H X S+ 0 0 47 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.916 106.9 58.1 -52.7 -37.4 1.8 22.7 84.0 225 244 A A H X S+ 0 0 36 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.879 112.3 32.5 -64.1 -49.1 1.3 19.0 84.3 226 245 A I H >X S+ 0 0 1 -4,-1.4 4,-1.6 -3,-0.3 3,-1.4 0.974 118.8 52.3 -73.0 -53.1 4.7 17.7 84.9 227 246 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.862 103.0 57.8 -50.8 -49.0 5.9 20.7 86.8 228 247 A L H 3X S+ 0 0 31 -4,-2.5 4,-1.9 -5,-0.4 -1,-0.3 0.845 104.7 50.9 -58.1 -29.2 3.1 20.7 89.3 229 248 A E H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.3 3,-1.1 0.951 112.1 48.6 -63.1 -55.4 10.0 15.4 105.5 241 260 A L H 3X S+ 0 0 26 -4,-3.3 4,-0.6 1,-0.3 -1,-0.3 0.708 99.6 78.2 -59.9 -19.2 13.5 16.8 105.7 242 261 A D H 3< S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.943 116.9 -0.6 -60.8 -43.7 12.0 19.2 108.2 243 262 A C H << S+ 0 0 39 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.1 0.779 134.6 49.6-115.8 -39.7 11.9 16.8 111.2 244 263 A F H < S+ 0 0 11 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.230 102.8 78.8 -88.7 16.1 13.2 13.6 110.0 245 264 A G < + 0 0 12 -4,-0.6 103,-0.0 -5,-0.2 -4,-0.0 -0.835 30.0 127.0-126.8 164.3 16.3 15.0 108.5 246 265 A D > + 0 0 78 -2,-0.3 3,-1.3 1,-0.1 2,-0.7 0.295 30.5 117.0-166.4 -56.5 19.8 16.5 109.2 247 266 A P T 3 S- 0 0 94 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.232 107.9 -16.5 -43.9 90.0 23.0 15.2 107.5 248 267 A A T > S- 0 0 106 -2,-0.7 3,-0.5 1,-0.2 0, 0.0 0.124 92.1-173.2 92.4 -11.0 24.3 18.2 105.5 249 268 A L T < - 0 0 23 -3,-1.3 2,-1.7 1,-0.2 -1,-0.2 0.280 42.3 -88.2 -17.3 115.0 20.9 19.9 105.8 250 269 A T T 3 S- 0 0 98 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.012 80.1 -69.5 -33.5 61.0 20.6 23.2 103.8 251 270 A G S < S+ 0 0 56 -2,-1.7 -3,-0.1 -3,-0.5 0, 0.0 -0.647 122.6 46.1 77.2-138.6 22.0 25.4 106.5 252 271 A A + 0 0 104 -2,-0.3 2,-0.1 1,-0.2 -2,-0.1 -0.008 55.3 179.9 -37.7 106.2 19.5 25.8 109.4 253 272 A V + 0 0 50 -4,-0.1 -1,-0.2 -10,-0.0 -2,-0.1 -0.436 46.1 116.2-104.6 53.4 18.3 22.3 110.3 254 273 A G - 0 0 53 1,-0.1 2,-0.3 -2,-0.1 -3,-0.0 0.398 50.9-145.7 -89.0-127.5 16.1 23.8 113.1 255 274 A T - 0 0 91 -12,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.942 23.7-140.4-174.9-172.2 12.3 23.5 113.0 256 275 A D + 0 0 42 -2,-0.3 4,-0.0 -14,-0.1 32,-0.0 -0.665 48.0 116.4 173.4 132.7 8.6 24.3 113.4 257 276 A I S S+ 0 0 5 -2,-0.2 29,-1.0 30,-0.1 30,-0.4 -0.086 74.4 86.5-179.7 3.1 5.5 22.5 114.3 258 277 A Q S S+ 0 0 38 28,-0.3 2,-0.7 27,-0.1 30,-0.2 0.761 85.5 61.8 -76.4 -36.8 5.3 24.8 117.4 259 278 A D S S- 0 0 37 28,-0.1 2,-3.3 1,-0.0 27,-0.2 -0.894 117.5-113.1 -92.7 117.4 3.5 26.9 114.8 260 279 A N - 0 0 7 -2,-0.7 2,-0.8 26,-0.3 -2,-0.1 -0.420 49.9-174.4 -55.0 68.0 0.7 24.6 114.2 261 280 A K - 0 0 63 -2,-3.3 2,-0.9 1,-0.1 5,-0.2 -0.659 25.2-133.0 -83.7 103.7 2.0 24.1 110.6 262 281 A C + 0 0 15 -2,-0.8 2,-0.3 -93,-0.1 -1,-0.1 -0.259 43.5 166.2 -52.4 94.5 -0.2 21.9 108.3 263 282 A S > - 0 0 9 -2,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.795 52.1-110.9-117.5 162.0 2.3 19.6 106.8 264 283 A W H > S+ 0 0 12 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.814 118.6 55.1 -54.9 -37.7 2.2 16.3 104.8 265 284 A L H > S+ 0 0 5 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.977 108.8 46.6 -58.2 -58.6 3.6 14.5 107.8 266 285 A V H >> S+ 0 0 2 -5,-0.2 4,-1.9 1,-0.2 3,-0.7 0.952 115.3 46.3 -47.5 -57.8 0.9 15.7 110.1 267 286 A V H 3< S+ 0 0 2 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.855 111.5 52.1 -54.5 -41.9 -1.8 14.8 107.4 268 287 A Q H 3X S+ 0 0 5 -4,-2.7 4,-1.3 -5,-0.2 3,-0.4 0.802 107.8 52.8 -64.6 -32.7 -0.2 11.4 106.9 269 288 A C H X< S+ 0 0 1 -4,-2.5 3,-1.5 -3,-0.7 -2,-0.2 0.999 102.6 57.5 -63.4 -65.3 -0.3 10.9 110.7 270 289 A L T 3< S+ 0 0 32 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.581 106.6 51.6 -41.3 -18.0 -4.1 11.7 110.9 271 290 A Q T 34 S+ 0 0 78 -4,-0.4 2,-0.4 -3,-0.4 -1,-0.3 0.874 108.5 46.6 -92.7 -36.5 -4.7 8.9 108.4 272 291 A R S << S+ 0 0 103 -3,-1.5 -1,-0.2 -4,-1.3 -2,-0.2 -0.139 102.5 122.1 -89.5 39.1 -2.8 6.2 110.2 273 292 A V - 0 0 45 -3,-0.4 -3,-0.1 -2,-0.4 -4,-0.0 -0.399 55.3-148.4-106.6-179.4 -4.5 7.1 113.5 274 293 A T > - 0 0 39 -2,-0.1 4,-3.3 1,-0.0 5,-0.3 -0.933 38.7-113.2-134.1 149.0 -6.6 6.1 116.5 275 294 A P H > S+ 0 0 103 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.800 120.9 53.5 -53.5 -31.8 -9.0 8.6 118.2 276 295 A E H >> S+ 0 0 122 2,-0.2 3,-2.1 1,-0.2 4,-1.2 0.996 110.0 42.4 -68.3 -66.0 -6.6 8.2 121.1 277 296 A Q H 3> S+ 0 0 47 1,-0.3 4,-2.4 2,-0.3 3,-0.2 0.825 108.6 60.3 -46.3 -42.3 -3.5 9.1 119.2 278 297 A R H 3X S+ 0 0 86 -4,-3.3 4,-2.6 1,-0.3 -1,-0.3 0.885 105.8 49.1 -51.9 -40.7 -5.3 11.9 117.5 279 298 A Q H - 0 0 86 1,-0.2 4,-1.9 -5,-0.1 5,-0.3 -0.888 58.5-145.7-101.9 102.6 7.1 22.8 124.6 290 309 A P H > S+ 0 0 114 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.829 99.2 42.1 -31.2 -57.8 10.4 20.9 124.2 291 310 A E H > S+ 0 0 145 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.906 110.7 55.2 -60.3 -53.0 9.0 17.7 125.7 292 311 A K H > S+ 0 0 78 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.957 108.3 49.0 -47.8 -59.0 5.6 18.0 123.9 293 312 A V H X S+ 0 0 38 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.879 106.9 54.6 -43.0 -61.5 7.3 18.2 120.4 294 313 A A H >X S+ 0 0 53 -4,-2.0 4,-1.8 -5,-0.3 3,-0.8 0.959 108.4 50.0 -41.5 -58.4 9.5 15.2 121.1 295 314 A K H 3X S+ 0 0 96 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.878 104.7 58.7 -49.5 -45.9 6.4 13.2 121.9 296 315 A V H 3X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.3 -1,-0.3 0.912 107.9 44.6 -50.7 -46.1 4.8 14.3 118.7 297 316 A K H S+ 0 0 5 -4,-2.0 5,-1.2 2,-0.2 4,-0.5 0.894 122.4 36.2 -60.9 -40.7 5.3 10.0 113.8 301 320 A E H <5S+ 0 0 107 -4,-2.8 -2,-0.2 3,-0.3 -1,-0.2 0.853 111.9 63.2 -73.6 -38.9 8.0 7.3 114.4 302 321 A A H <5S+ 0 0 61 -4,-5.9 -2,-0.2 -5,-0.4 -3,-0.2 0.944 115.1 31.1 -49.6 -50.5 5.4 5.6 116.5 303 322 A V H <5S- 0 0 42 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.550 117.1-119.4 -85.4 -8.6 3.3 5.3 113.3 304 323 A G T X5 + 0 0 27 -4,-0.5 4,-1.0 -5,-0.2 -3,-0.3 0.999 48.3 163.9 67.9 72.2 6.5 5.0 111.1 305 324 A M H > S+ 0 0 92 -6,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.930 99.0 42.8 -54.9 -43.0 9.9 7.3 108.0 307 326 A A H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.984 109.5 54.4 -67.5 -54.6 8.7 4.4 105.9 308 327 A A H X S+ 0 0 21 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.731 102.3 59.0 -50.2 -31.9 5.8 6.2 104.1 309 328 A F H X S+ 0 0 0 -4,-2.0 4,-3.5 2,-0.2 -1,-0.2 0.994 108.1 43.7 -64.5 -55.4 8.1 8.9 102.9 310 329 A Q H X S+ 0 0 102 -4,-1.3 4,-2.2 1,-0.3 -2,-0.2 0.866 112.1 56.3 -56.2 -33.2 10.3 6.5 101.1 311 330 A Q H < S+ 0 0 125 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.963 113.6 37.9 -61.0 -49.6 7.1 4.9 99.9 312 331 A Y H >X S+ 0 0 29 -4,-2.6 4,-2.5 -3,-0.2 3,-2.3 0.919 111.8 57.5 -67.5 -46.4 5.8 8.2 98.4 313 332 A E H 3X S+ 0 0 22 -4,-3.5 4,-1.8 1,-0.3 -1,-0.2 0.929 103.0 56.9 -46.4 -52.4 9.3 9.2 97.2 314 333 A E H 3< S+ 0 0 128 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.3 0.495 110.7 43.4 -61.2 -6.0 9.4 5.9 95.2 315 334 A S H <> S+ 0 0 25 -3,-2.3 4,-2.4 2,-0.1 5,-0.4 0.814 104.3 59.7-106.8 -47.0 6.2 6.8 93.4 316 335 A S H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.868 105.4 51.3 -50.0 -42.6 6.8 10.5 92.6 317 336 A Y H X S+ 0 0 135 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.977 113.0 44.7 -59.2 -59.4 9.9 9.5 90.6 318 337 A R H > S+ 0 0 134 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.947 112.1 49.4 -44.0 -69.8 8.0 7.0 88.5 319 338 A R H X S+ 0 0 70 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.812 112.5 53.8 -42.3 -34.9 4.9 9.1 87.9 320 339 A L H X S+ 0 0 1 -4,-1.8 4,-2.9 -5,-0.4 -1,-0.3 0.991 102.0 51.9 -66.6 -60.6 7.3 11.7 86.8 321 340 A Q H X S+ 0 0 52 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.852 117.4 43.6 -50.8 -25.0 9.2 9.7 84.3 322 341 A E H X S+ 0 0 110 -4,-2.2 4,-2.3 -5,-0.2 5,-0.4 0.987 107.9 53.9 -79.9 -60.7 5.9 8.9 82.8 323 342 A L H X S+ 0 0 33 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.740 105.0 58.9 -42.7 -29.4 4.4 12.4 83.0 324 343 A I H >X S+ 0 0 2 -4,-2.9 4,-4.3 -5,-0.2 3,-0.6 0.991 109.0 43.7 -63.9 -57.1 7.4 13.4 81.1 325 344 A E H 3< S+ 0 0 93 -4,-1.4 -2,-0.3 -3,-0.3 -3,-0.1 0.941 114.0 48.0 -48.2 -59.8 6.5 11.0 78.4 326 345 A K H 3< S+ 0 0 150 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.815 129.0 26.6 -55.0 -25.1 2.8 12.0 78.4 327 346 A H H << S+ 0 0 26 -4,-1.5 3,-0.4 -3,-0.6 4,-0.3 0.693 98.7 76.2-118.0 -15.2 3.9 15.6 78.3 328 347 A S < + 0 0 5 -4,-4.3 5,-0.3 1,-0.2 -1,-0.1 -0.055 58.4 118.5 -88.2 32.2 7.3 16.1 76.7 329 348 A N S S+ 0 0 136 -3,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.993 90.2 15.5 -59.5 -62.7 5.9 15.7 73.2 330 349 A R S S+ 0 0 143 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.798 118.1 66.4 -87.8 -30.0 6.9 19.1 72.1 331 350 A L S S- 0 0 7 -4,-0.3 2,-0.2 1,-0.1 -265,-0.1 -0.776 90.4 -92.2-102.8 147.4 9.3 20.4 74.6 332 351 A P >> - 0 0 41 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.270 23.3-152.0 -55.7 116.2 12.8 19.4 75.5 333 352 A K H 3> S+ 0 0 68 -5,-0.3 4,-2.2 1,-0.3 3,-0.5 0.776 87.6 81.3 -57.2 -32.6 12.8 16.8 78.3 334 353 A E H 3> S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 89.6 57.7 -46.1 -38.7 16.3 18.0 79.3 335 354 A I H <> S+ 0 0 14 -3,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.880 106.9 42.0 -53.0 -58.4 14.4 20.8 81.1 336 355 A F H X S+ 0 0 3 -4,-0.5 4,-2.4 -3,-0.5 -1,-0.2 0.845 116.8 50.0 -61.2 -38.4 12.3 18.7 83.3 337 356 A L H X S+ 0 0 89 -4,-2.2 4,-4.7 2,-0.2 5,-0.2 0.926 110.6 47.2 -63.1 -57.3 15.2 16.3 84.1 338 357 A G H < S+ 0 0 37 -4,-2.8 4,-0.3 -5,-0.3 -2,-0.2 0.971 116.2 46.2 -50.6 -53.4 17.6 19.0 85.0 339 358 A L H >< S+ 0 0 14 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.900 117.1 44.9 -53.1 -50.5 15.0 20.6 87.1 340 359 A A H >X S+ 0 0 8 -4,-2.4 3,-2.5 1,-0.2 4,-2.2 0.874 99.3 67.3 -65.6 -42.4 14.2 17.3 88.5 341 360 A Q T 3< S+ 0 0 153 -4,-4.7 -1,-0.2 1,-0.3 -2,-0.2 0.471 106.4 44.8 -57.8 -2.7 17.8 16.1 89.1 342 361 A K T <4 S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.272 113.1 49.2-128.4 15.5 18.1 18.8 91.7 343 362 A I T <4 S+ 0 0 10 -3,-2.5 3,-0.5 -5,-0.1 -2,-0.2 0.727 99.5 59.0-112.5 -52.9 14.8 18.2 93.4 344 363 A Y < + 0 0 24 -4,-2.2 -3,-0.1 1,-0.2 -27,-0.1 0.422 61.3 128.6 -64.2 -4.6 14.7 14.5 94.0 345 364 A K - 0 0 153 -5,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.663 50.4-160.4 -14.6 -60.1 17.8 14.3 96.2 346 365 A R - 0 0 100 -3,-0.5 2,-0.2 1,-0.1 -1,-0.0 0.145 15.8-147.6 76.7 155.0 16.0 12.4 98.9 347 366 A Q 0 0 23 -3,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 -0.690 360.0 360.0-156.3 87.5 17.4 12.4 102.3 348 367 A K 0 0 80 -2,-0.2 -38,-0.2 -103,-0.0 -39,-0.1 0.415 360.0 360.0 76.8 360.0 16.4 9.0 103.7