==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL-BINDING PROTEIN 10-MAR-98 1UOR . COMPND 2 MOLECULE: SERUM ALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.C.CARTER,J.X.HO . 580 1 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 54 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.9 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 7 3 0 1 2 4 1 1 1 0 3 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 4 A K 0 0 213 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.9 -4.0 -19.9 -11.1 2 5 A S - 0 0 4 1,-0.2 58,-0.1 48,-0.1 60,-0.1 -0.756 360.0-150.0-114.4 169.8 -0.9 -18.2 -9.6 3 6 A E S >> S+ 0 0 64 58,-0.5 4,-2.2 56,-0.4 3,-0.5 0.825 88.1 59.2 -97.0 -49.4 -0.2 -16.1 -6.5 4 7 A V H >> S+ 0 0 9 55,-0.3 4,-2.3 57,-0.3 3,-0.7 0.835 112.6 33.1 -50.6 -64.6 2.7 -14.0 -7.7 5 8 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.787 113.5 63.1 -68.0 -25.6 1.2 -12.2 -10.6 6 9 A H H <4 S+ 0 0 72 -3,-0.5 -1,-0.3 2,-0.3 -2,-0.2 0.901 104.5 45.1 -68.1 -43.0 -2.2 -12.1 -9.1 7 10 A R H XX S+ 0 0 33 -4,-2.2 3,-1.9 -3,-0.7 4,-1.3 0.972 112.2 55.0 -62.2 -39.2 -0.9 -10.0 -6.2 8 11 A F H 3< S+ 0 0 17 -4,-2.3 4,-0.4 1,-0.3 -2,-0.3 0.843 97.8 65.8 -56.1 -32.5 0.7 -8.1 -9.0 9 12 A K T 3< S+ 0 0 115 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.227 113.8 23.8 -84.8 10.9 -2.7 -7.7 -10.7 10 13 A D T <4 S+ 0 0 72 -3,-1.9 -2,-0.2 2,-0.3 -1,-0.1 0.462 120.3 44.9-128.8 -57.8 -4.1 -5.5 -7.9 11 14 A L S < S- 0 0 25 -4,-1.3 4,-0.3 1,-0.2 5,-0.2 0.251 101.7-137.5 -77.2 20.3 -1.6 -3.5 -5.8 12 15 A G - 0 0 35 -4,-0.4 -2,-0.3 -5,-0.2 -1,-0.2 -0.175 29.4 -70.5 50.5-144.1 0.1 -2.7 -9.1 13 16 A E S >> S+ 0 0 89 2,-0.1 4,-3.3 3,-0.1 3,-1.2 0.858 121.1 56.0-116.7 -47.6 3.8 -2.8 -9.5 14 17 A E H 3> S+ 0 0 91 1,-0.3 4,-3.9 2,-0.2 3,-0.2 0.945 114.0 44.8 -52.6 -58.3 5.4 0.1 -7.5 15 18 A N H 3> S+ 0 0 45 -4,-0.3 4,-1.7 2,-0.3 -1,-0.3 0.603 110.9 55.1 -67.5 -5.1 3.7 -1.1 -4.4 16 19 A F H <> S+ 0 0 2 -3,-1.2 4,-1.6 2,-0.2 5,-0.3 0.935 114.1 38.7 -86.6 -49.3 4.8 -4.7 -5.4 17 20 A K H X S+ 0 0 79 -4,-3.3 4,-1.9 -3,-0.2 -2,-0.3 0.963 117.0 58.0 -53.3 -36.7 8.3 -3.5 -5.5 18 21 A A H X S+ 0 0 13 -4,-3.9 4,-1.0 -5,-0.4 -2,-0.2 0.811 113.1 33.5 -75.3 -35.3 7.3 -1.5 -2.5 19 22 A L H X S+ 0 0 1 -4,-1.7 4,-1.6 -5,-0.2 3,-0.3 0.968 111.5 58.9 -74.8 -61.6 6.2 -4.4 -0.4 20 23 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.3 -2,-0.2 0.598 106.1 52.1 -54.7 -21.1 8.6 -7.1 -1.4 21 24 A L H X S+ 0 0 8 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.3 0.994 112.7 40.7 -68.5 -72.6 11.5 -4.9 -0.3 22 25 A I H >X S+ 0 0 0 -4,-1.0 3,-1.9 -3,-0.3 4,-1.2 0.914 116.0 55.3 -45.2 -46.7 10.2 -4.1 3.2 23 26 A A H >X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.3 3,-1.5 0.903 112.0 40.2 -41.8 -66.0 9.2 -7.8 3.3 24 27 A F H 3X S+ 0 0 3 -4,-2.3 4,-1.1 1,-0.3 -1,-0.3 0.566 119.6 50.1 -65.2 -10.3 12.7 -9.0 2.5 25 28 A A H << S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-1.5 -2,-0.2 0.301 105.9 47.0-124.5 6.2 14.2 -6.3 4.8 26 29 A Q H << S+ 0 0 1 -3,-1.5 -2,-0.1 -4,-1.2 -3,-0.1 0.702 114.7 57.8 -83.3 -50.8 12.3 -6.7 8.1 27 30 A Y H < S+ 0 0 8 -4,-1.6 -2,-0.2 -5,-0.3 75,-0.2 0.688 123.4 13.4 -39.4 -68.1 13.1 -10.4 7.5 28 31 A L S >< S+ 0 0 3 -4,-1.1 2,-1.7 3,-0.1 3,-0.6 0.618 80.1 175.7 -98.1 -21.1 16.9 -10.4 7.2 29 32 A Q T 3 + 0 0 17 1,-0.2 -4,-0.1 -5,-0.1 -2,-0.1 0.297 63.6 54.7 43.3 8.3 17.6 -6.9 8.6 30 33 A Q T 3 S+ 0 0 75 -2,-1.7 -1,-0.2 2,-0.1 3,-0.1 0.545 77.5 96.5-132.0 -37.2 21.4 -6.8 8.7 31 34 A C S < S- 0 0 5 -3,-0.6 5,-0.1 1,-0.1 -3,-0.1 -0.246 84.3 -97.6 -52.5 132.1 22.5 -7.7 5.1 32 35 A P > - 0 0 77 0, 0.0 4,-1.1 0, 0.0 -2,-0.1 0.380 34.8 -96.9 -48.1 172.5 23.3 -4.6 3.0 33 36 A F H >> S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.993 110.6 51.3 -64.3 -60.0 21.0 -2.9 0.6 34 37 A E H 3> S+ 0 0 140 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.706 104.4 57.1 -59.9 -40.6 21.9 -4.2 -2.9 35 38 A D H 3> S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.973 112.5 44.3 -43.8 -55.1 21.7 -7.9 -2.0 36 39 A H H X S+ 0 0 5 -4,-1.3 4,-2.5 2,-0.2 3,-0.8 0.990 106.6 58.7 -67.5 -58.5 13.6 -7.6 -5.2 41 44 A N H 3X S+ 0 0 77 -4,-3.3 4,-1.6 1,-0.3 -2,-0.2 0.746 109.9 46.7 -37.1 -37.3 14.5 -6.8 -8.8 42 45 A E H 3X S+ 0 0 62 -4,-2.0 4,-0.7 2,-0.2 -1,-0.3 0.899 111.1 46.0 -80.0 -50.5 14.0 -10.5 -9.6 43 46 A V H < S+ 0 0 136 -4,-1.6 3,-3.4 -5,-0.4 4,-0.4 0.931 107.0 43.9 -59.2-111.8 10.5 -9.7 -12.8 46 49 A F H >X S+ 0 0 57 -4,-0.7 4,-1.6 1,-0.3 3,-0.5 0.543 102.3 71.4 18.1 -59.7 9.0 -13.2 -12.9 47 50 A A H >X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.3 3,-0.8 0.955 96.0 52.3 -47.8 -49.6 5.8 -11.7 -11.6 48 51 A K H S+ 0 0 81 -3,-0.5 4,-1.4 -4,-0.4 -1,-0.2 0.770 108.9 43.7 -82.9 -21.3 5.9 -13.4 -16.8 50 53 A a H << S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.692 109.6 59.9 -85.9 -18.6 3.0 -15.1 -14.9 51 54 A V H < S+ 0 0 55 -4,-2.0 3,-0.3 -5,-0.3 -2,-0.2 0.943 107.4 44.8 -56.0 -52.1 1.2 -11.9 -15.6 52 55 A A H < S+ 0 0 72 -4,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.941 138.3 1.5 -55.0 -43.4 1.8 -12.8 -19.3 53 56 A D >< - 0 0 92 -4,-1.4 3,-1.0 1,-0.2 -1,-0.3 -0.927 49.9-163.9-160.2 101.7 0.8 -16.4 -18.6 54 57 A E T 3 S+ 0 0 70 -2,-0.3 5,-0.2 -3,-0.3 -1,-0.2 0.993 94.7 63.5 -37.6 -61.7 -0.5 -18.0 -15.4 55 58 A S T 3 S+ 0 0 101 -3,-0.1 -1,-0.2 4,-0.1 3,-0.1 0.373 75.2 116.8 -56.2 -8.9 0.2 -21.3 -17.1 56 59 A A S X S- 0 0 31 -3,-1.0 3,-1.8 -7,-0.2 4,-0.3 -0.413 81.2 -75.6 -66.7 145.6 4.0 -20.8 -17.4 57 60 A E T 3 S+ 0 0 170 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.159 110.2 3.8 -42.1 137.1 6.3 -23.2 -15.4 58 61 A N T > S+ 0 0 62 -3,-0.1 3,-1.6 1,-0.1 -1,-0.2 0.278 83.6 117.0 62.3 2.3 6.5 -22.7 -11.6 59 62 A a T < + 0 0 0 -3,-1.8 2,-1.5 1,-0.3 -56,-0.4 0.983 65.3 82.6 -47.5 -38.6 4.1 -19.9 -11.3 60 63 A D T 3 + 0 0 132 -4,-0.3 -1,-0.3 -6,-0.1 2,-0.2 0.242 62.0 121.8 -55.7 2.8 2.5 -22.7 -9.3 61 64 A K S < S- 0 0 69 -3,-1.6 2,-1.4 -2,-1.5 -58,-0.5 -0.506 74.5-119.0 -56.9 139.3 4.7 -21.8 -6.2 62 65 A S > - 0 0 90 -2,-0.2 3,-2.6 1,-0.1 4,-0.1 -0.737 44.2-107.8 -81.8 86.0 2.6 -20.9 -3.1 63 66 A L T > S+ 0 0 12 -2,-1.4 3,-3.3 1,-0.3 4,-0.4 0.187 117.0 50.0 27.6 -84.8 4.0 -17.3 -2.9 64 67 A H T 3> S+ 0 0 42 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.826 99.1 68.4 -38.2 -52.8 6.2 -17.8 0.2 65 68 A T H <> S+ 0 0 22 -3,-2.6 4,-1.8 2,-0.2 -1,-0.3 0.734 99.9 49.5 -46.4 -31.8 7.7 -20.9 -1.5 66 69 A L H X> S+ 0 0 16 -3,-3.3 3,-1.7 2,-0.2 4,-0.9 0.916 115.2 40.4 -64.3 -80.3 9.3 -18.5 -4.0 67 70 A F H >4 S+ 0 0 15 -4,-0.4 3,-2.6 1,-0.3 5,-0.4 0.745 116.1 53.2 -27.4 -54.3 10.8 -16.1 -1.4 68 71 A G H 3X S+ 0 0 5 -4,-3.0 4,-1.0 1,-0.3 3,-0.3 0.856 116.9 37.1 -57.2 -40.6 11.7 -19.1 0.8 69 72 A D H << S+ 0 0 45 -4,-1.8 -1,-0.3 -3,-1.7 -2,-0.2 0.273 122.2 44.7 -96.7 5.2 13.6 -20.6 -2.2 70 73 A K T << S+ 0 0 61 -3,-2.6 -1,-0.2 -4,-0.9 -2,-0.1 -0.574 110.5 50.8-143.6 69.3 15.0 -17.3 -3.5 71 74 A L T >>S+ 0 0 6 -3,-0.3 5,-1.4 -5,-0.1 4,-0.7 0.017 100.0 56.6-172.0 -61.7 16.2 -15.6 -0.3 72 75 A b T <>S+ 0 0 21 -4,-1.0 5,-0.7 -5,-0.4 -3,-0.1 0.842 100.6 76.5 -53.0 -30.5 18.3 -18.2 1.4 73 76 A T T >5S- 0 0 73 3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.878 117.5 -17.6 -55.8-102.8 20.3 -18.2 -1.9 74 77 A V T 45S+ 0 0 59 2,-0.2 4,-0.3 3,-0.2 -1,-0.2 0.546 133.0 63.0 -96.8 -8.8 22.7 -15.3 -2.5 75 78 A A T ><5S+ 0 0 3 -4,-0.7 3,-0.8 2,-0.1 4,-0.3 0.943 115.2 33.0 -61.5 -58.5 21.1 -13.1 0.1 76 79 A T G >4 + 0 0 40 3,-0.1 3,-1.1 -16,-0.1 -1,-0.1 0.541 55.0 145.0-111.9 11.8 15.6 -23.5 4.5 89 92 A A T 3 - 0 0 75 1,-0.2 2,-1.6 -3,-0.2 6,-0.1 0.521 66.4 -8.3 -16.0-131.8 15.5 -27.1 5.7 90 93 A K T 3 S- 0 0 191 4,-0.1 -1,-0.2 1,-0.1 4,-0.1 -0.494 102.3 -97.3 -81.7 56.0 13.0 -29.7 4.3 91 94 A Q S < S+ 0 0 130 -2,-1.6 -2,-0.1 -3,-1.1 3,-0.1 0.676 77.6 145.1 31.1 93.6 11.1 -27.1 2.2 92 95 A E S > S- 0 0 37 1,-0.1 3,-1.2 -4,-0.1 4,-0.5 -0.983 76.5-100.6-158.1 135.2 8.3 -26.6 4.6 93 96 A P G >> S+ 0 0 103 0, 0.0 2,-1.6 0, 0.0 4,-0.6 0.908 117.3 69.0 6.7 -78.8 5.8 -24.7 6.3 94 97 A E G 34 S+ 0 0 120 1,-0.2 4,-0.2 2,-0.1 -4,-0.1 0.123 84.6 74.2 -64.5 27.6 8.5 -24.8 9.1 95 98 A R G <>>S+ 0 0 26 -2,-1.6 4,-1.1 -3,-1.2 5,-0.7 0.791 88.5 52.6 -93.0 -57.4 10.7 -22.5 7.0 96 99 A N I <4>S+ 0 0 9 -3,-0.6 5,-4.6 -4,-0.5 3,-0.3 0.744 118.2 39.3 -49.5 -45.2 8.8 -19.2 7.5 97 100 A E I X5S+ 0 0 85 -4,-0.6 4,-0.6 3,-0.2 -1,-0.2 0.913 100.1 60.6 -63.7 -77.1 9.0 -19.7 11.2 98 101 A c I 45S- 0 0 49 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.503 132.2 -25.0 -48.1 -40.6 12.2 -21.1 12.5 99 102 A F I ><5S+ 0 0 46 -4,-1.1 3,-1.8 -3,-0.3 -1,-0.3 0.581 129.8 61.8-135.0 -34.8 14.3 -18.3 11.2 100 103 A L I 34 - 0 0 137 -2,-0.1 4,-1.0 0, 0.0 3,-0.1 -0.886 27.4 -20.8-173.7-162.5 22.3 14.2 8.5 117 120 A V T 4 S- 0 0 91 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 0.401 113.3 -22.0 -35.4 -66.7 22.8 17.9 8.5 118 121 A D T >4 S+ 0 0 105 1,-0.1 3,-0.9 2,-0.1 -1,-0.3 0.721 117.3 71.8-116.4 -26.6 22.2 19.1 4.9 119 122 A V T 34 + 0 0 98 1,-0.2 -2,-0.1 -3,-0.1 -1,-0.1 0.638 67.8 83.7 -86.6 -19.9 22.8 16.4 2.4 120 123 A M T 3< + 0 0 20 -4,-1.0 2,-0.8 2,-0.1 -1,-0.2 0.639 64.4 102.3 -65.5 -15.8 19.9 13.9 2.6 121 124 A d < + 0 0 17 -3,-0.9 45,-0.1 1,-0.1 9,-0.0 -0.614 47.5 141.6 -67.4 103.4 17.9 16.3 0.3 122 125 A T + 0 0 24 -2,-0.8 2,-0.9 2,-0.1 3,-0.2 -0.196 10.6 127.0-159.3 37.5 18.4 14.2 -2.7 123 126 A A + 0 0 52 1,-0.1 4,-0.2 2,-0.1 43,-0.1 -0.746 63.3 86.4 -95.9 71.1 15.5 13.9 -5.1 124 127 A F S S- 0 0 149 -2,-0.9 -1,-0.1 2,-0.6 3,-0.1 0.443 107.9 -1.5-129.5 -56.8 17.9 14.9 -7.9 125 128 A H S S+ 0 0 173 1,-0.3 2,-0.2 -3,-0.2 -2,-0.1 -0.387 131.0 20.4-145.0 40.0 19.6 11.7 -9.2 126 129 A D + 0 0 57 2,-0.1 -2,-0.6 3,-0.1 -1,-0.3 -0.405 28.9 178.3 169.2 143.9 18.2 9.1 -6.9 127 130 A N S >S+ 0 0 68 -4,-0.2 5,-3.2 -2,-0.2 6,-0.5 0.149 83.0 88.3-118.0 -5.0 15.3 8.3 -4.7 128 131 A E T >S+ 0 0 104 4,-0.2 5,-1.8 3,-0.2 -2,-0.1 0.985 89.8 63.2 -45.7 -46.1 16.9 4.9 -4.2 129 132 A E T > 5S- 0 0 68 3,-0.2 3,-0.8 -7,-0.2 2,-0.2 -0.285 124.4 -12.0 -67.9 173.0 18.4 7.3 -1.6 130 133 A T T 3 5S+ 0 0 11 1,-0.2 4,-0.3 3,-0.2 -3,-0.1 -0.248 134.4 48.3 22.1 -94.6 15.9 8.6 1.0 131 134 A F T > 5S+ 0 0 36 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.744 125.9 29.4 -32.9 -62.6 12.5 7.7 -0.4 132 135 A L G X S+ 0 0 9 -3,-0.6 4,-0.7 4,-0.1 5,-0.2 0.633 99.5 52.8-116.2 -46.5 13.0 0.8 4.4 136 139 A L T 4 S+ 0 0 36 -4,-0.2 -3,-0.1 3,-0.2 -2,-0.1 0.298 135.6 18.0 -64.7 25.1 16.5 -0.5 4.9 137 140 A Y T >> S+ 0 0 52 4,-0.1 2,-1.5 3,-0.1 4,-1.4 0.044 126.7 44.5-151.8 -81.6 16.2 2.0 7.8 138 141 A E T 34 S+ 0 0 42 -5,-0.3 -2,-0.1 1,-0.3 -4,-0.1 0.140 135.4 25.1 -63.5 23.1 12.6 3.1 8.7 139 142 A I T 3< S+ 0 0 0 -2,-1.5 -1,-0.3 -4,-0.7 -3,-0.2 0.345 118.3 51.5-167.6 6.5 12.0 -0.7 8.4 140 143 A A T X4 S+ 0 0 8 -3,-1.2 3,-0.6 -5,-0.2 -2,-0.1 0.733 98.6 80.2 -95.1 -45.3 15.1 -2.7 9.0 141 144 A R T 3< S- 0 0 19 -4,-1.4 -4,-0.1 1,-0.2 -30,-0.1 -0.315 120.4 -37.9 -63.8 124.1 15.7 -0.9 12.2 142 145 A R T 3 S+ 0 0 36 -36,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.496 121.8 84.9 50.8 13.1 13.8 -1.9 15.3 143 146 A H < + 0 0 14 -3,-0.6 3,-0.4 2,-0.1 -1,-0.2 -0.089 32.0 142.4-140.6 47.6 10.6 -2.5 13.3 144 147 A P S S+ 0 0 0 0, 0.0 -117,-0.1 0, 0.0 -118,-0.1 0.754 82.9 47.9 -67.6 -8.2 10.6 -5.9 11.8 145 148 A Y S S+ 0 0 30 45,-0.2 3,-0.3 -119,-0.1 100,-0.1 0.841 78.8 138.3 -99.8 -21.7 6.9 -6.0 12.6 146 149 A F - 0 0 7 -3,-0.4 2,-1.5 44,-0.2 44,-0.1 0.297 65.4-101.6 -29.7 139.0 5.9 -2.6 11.1 147 150 A Y >> - 0 0 7 42,-0.1 3,-1.3 1,-0.1 4,-0.9 -0.403 29.4-145.0 -86.9 79.0 2.7 -2.7 9.1 148 151 A A H >> S+ 0 0 0 -2,-1.5 3,-2.4 -3,-0.3 4,-1.7 0.677 92.3 48.5 13.3 -90.8 3.5 -2.8 5.5 149 152 A P H 3> S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.845 108.8 55.9 -57.7 -28.1 0.7 -0.7 3.9 150 153 A E H <> S+ 0 0 8 -3,-1.3 4,-1.9 1,-0.3 -2,-0.2 0.755 105.3 51.6 -71.0 -26.7 1.2 2.0 6.5 151 154 A L H << S+ 0 0 3 -3,-2.4 -1,-0.3 -4,-0.9 -3,-0.1 0.907 106.7 52.6 -68.7 -42.4 4.9 2.3 5.5 152 155 A L H >X S+ 0 0 11 -4,-1.7 4,-1.2 1,-0.2 3,-0.6 0.869 114.1 44.9 -59.8 -32.2 3.7 2.6 1.9 153 156 A F H 3X S+ 0 0 7 -4,-2.0 4,-1.0 -5,-0.3 -2,-0.2 0.825 114.5 46.8 -78.5 -30.5 1.5 5.4 3.4 154 157 A F H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.228 103.9 67.3 -90.1 12.1 4.4 6.7 5.3 155 158 A A H X> S+ 0 0 2 -3,-0.6 4,-3.0 3,-0.1 3,-0.8 0.855 98.0 47.2 -92.5 -55.2 6.6 6.5 2.2 156 159 A K H 3X>S+ 0 0 46 -4,-1.2 2,-2.2 1,-0.3 4,-1.5 0.951 106.5 63.2 -50.0 -41.5 4.8 9.2 0.2 157 160 A R H 3<5S+ 0 0 102 -4,-1.0 -1,-0.3 1,-0.2 -4,-0.0 -0.274 109.9 37.2 -86.8 43.3 5.1 11.3 3.4 158 161 A Y H <>5S+ 0 0 21 -2,-2.2 4,-1.8 -3,-0.8 -1,-0.2 -0.096 123.6 44.7-140.8 -40.7 8.9 11.2 3.2 159 162 A K H X5S+ 0 0 70 -4,-3.0 4,-2.1 1,-0.2 3,-0.2 0.981 111.3 49.0 -59.2 -81.2 8.8 11.4 -0.6 160 163 A A H <5S+ 0 0 49 -4,-1.5 5,-0.2 1,-0.2 -1,-0.2 0.641 109.5 56.6 -32.4 -36.6 6.2 14.2 -1.0 161 164 A A H >>S+ 0 0 17 -2,-0.7 5,-2.6 -4,-0.1 -1,-0.2 0.426 91.1 92.2 -86.1 -22.6 14.5 20.8 -1.1 167 170 A Q T X 5S- 0 0 149 -3,-0.8 3,-1.3 -5,-0.3 4,-0.2 0.736 96.6 -11.8 -42.6-112.4 13.4 24.0 -2.8 168 171 A A T 3 5S+ 0 0 98 1,-0.3 -1,-0.2 2,-0.1 -3,-0.1 0.656 126.4 61.3 -79.5 -17.9 13.7 27.5 -1.6 169 172 A A T > 5S- 0 0 27 3,-0.1 3,-1.6 2,-0.0 4,-0.5 0.164 107.2-114.7 -97.3 21.6 14.7 26.6 1.9 170 173 A D T < 5 - 0 0 140 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.899 67.3 -76.8 53.4 29.8 17.9 24.8 1.1 171 174 A K T 3>XS+ 0 0 6 -5,-2.6 5,-1.2 -4,-0.2 4,-0.8 0.241 114.5 121.0 57.9 -14.3 15.8 22.0 2.5 172 175 A A H <>5S- 0 0 51 -3,-1.6 4,-0.8 -6,-0.2 3,-0.2 0.835 84.0 -10.5 -43.8 -77.6 16.8 23.7 5.8 173 176 A A H 45S+ 0 0 65 -4,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.927 128.3 59.7-100.7 -52.8 13.6 24.7 7.6 174 177 A e H 45S+ 0 0 55 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.460 119.2 33.5 -58.2 -10.9 10.7 24.3 5.2 175 178 A L H ><5S+ 0 0 0 -4,-0.8 3,-2.7 -6,-0.2 4,-0.3 0.604 106.6 53.2-103.9 -80.9 11.7 20.6 5.0 176 179 A L G >< S+ 0 0 69 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.458 97.9 54.0 -85.6 0.1 10.3 20.0 10.6 178 181 A K G <4 S+ 0 0 96 -3,-2.7 -2,-0.2 2,-0.1 4,-0.2 0.185 107.4 53.5 -97.6 9.7 8.2 17.5 8.7 179 182 A L T <4 S+ 0 0 50 -3,-0.8 -3,-0.1 -4,-0.3 -1,-0.1 0.063 105.5 53.3-124.2 5.4 11.2 15.3 9.6 180 183 A D T >> S+ 0 0 77 3,-0.0 3,-1.2 4,-0.0 4,-0.6 0.588 115.4 34.5 -91.0 -74.5 10.8 16.1 13.3 181 184 A E H >X S+ 0 0 124 -4,-0.7 2,-2.4 1,-0.3 3,-1.7 0.826 112.7 57.5 -44.9 -62.2 7.2 15.2 13.9 182 185 A L H 34 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.2 -4,-0.1 0.060 97.1 65.2 -71.7 32.6 6.9 12.3 11.4 183 186 A R H X> S+ 0 0 77 -2,-2.4 4,-2.1 -3,-1.2 3,-0.6 0.580 101.9 45.4-113.1 -39.6 9.7 10.3 13.2 184 187 A D H S+ 0 0 6 -3,-0.6 4,-2.0 2,-0.1 -2,-0.2 0.835 115.2 37.9 -88.1 -56.0 7.1 6.2 12.8 187 190 A K H < S+ 0 0 40 -4,-2.1 4,-0.4 2,-0.2 5,-0.3 0.928 112.5 64.2 -48.3 -45.6 7.9 4.8 16.2 188 191 A A H >X S+ 0 0 34 -4,-4.1 4,-3.1 1,-0.3 3,-2.3 0.906 112.5 27.8 -54.1 -68.3 4.3 5.5 17.2 189 192 A S H 3< S+ 0 0 22 -4,-0.7 -1,-0.3 1,-0.3 4,-0.2 0.799 116.6 60.2 -65.5 -29.5 2.4 3.2 14.9 190 193 A S T 3< S+ 0 0 10 -4,-2.0 -1,-0.3 1,-0.2 4,-0.3 0.439 120.6 31.0 -71.2 -11.3 5.4 0.7 14.7 191 194 A A T <> S+ 0 0 11 -3,-2.3 4,-0.7 -4,-0.4 -2,-0.3 0.462 111.0 61.9-117.8 -26.2 4.9 0.5 18.4 192 195 A K T < S+ 0 0 99 -4,-3.1 4,-0.3 -5,-0.3 -3,-0.2 0.340 113.6 45.5 -76.5 -1.8 1.1 1.1 18.4 193 196 A Q T >> S+ 0 0 4 -5,-0.3 4,-1.3 -4,-0.2 3,-0.9 0.774 86.7 73.2-106.2 -52.2 1.3 -2.1 16.4 194 197 A R H >> S+ 0 0 24 1,-0.3 4,-2.9 -4,-0.3 3,-0.5 0.839 102.2 58.5 -45.9 -29.6 3.7 -4.7 18.0 195 198 A L H 3X S+ 0 0 12 -4,-0.7 4,-3.3 2,-0.2 5,-0.3 0.941 97.2 54.2 -48.5 -70.8 0.7 -4.8 20.3 196 199 A K H <> S+ 0 0 23 -3,-0.9 4,-0.8 -4,-0.3 -1,-0.2 0.675 116.8 40.2 -48.1 -26.0 -1.9 -5.8 17.6 197 200 A f H S+ 0 0 6 -4,-1.3 4,-2.0 -3,-0.5 5,-0.7 0.831 110.8 57.3 -83.6 -43.2 0.4 -8.7 16.8 198 201 A A H X5S+ 0 0 1 -4,-2.9 4,-0.9 -5,-0.4 -2,-0.2 0.933 110.9 44.1 -57.6 -46.9 1.1 -9.4 20.4 199 202 A S H <5S+ 0 0 0 -4,-3.3 4,-0.4 1,-0.1 -1,-0.3 0.987 114.2 56.9 -42.4 -60.7 -2.6 -9.8 20.9 200 203 A L H <5S- 0 0 0 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.1 0.771 130.1 -16.4 -56.1 -63.2 -2.7 -11.8 17.8 201 204 A Q H <5S+ 0 0 82 -4,-2.0 -1,-0.2 3,-0.1 -3,-0.2 0.201 128.4 62.7-144.5 22.9 -0.3 -14.8 18.1 202 205 A K S <> - 0 0 44 -2,-0.3 4,-0.7 1,-0.2 3,-0.6 -0.038 34.6-137.6 -53.3 138.9 -4.6 -16.0 21.4 205 208 A E H 3> S+ 0 0 96 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.738 101.1 68.1 -62.6 -27.1 -6.0 -14.9 18.1 206 209 A R H >> S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.895 88.9 64.4 -62.7 -37.6 -9.5 -15.0 19.8 207 210 A A H X> S+ 0 0 29 -3,-0.6 4,-1.7 1,-0.2 3,-0.6 0.941 90.9 63.6 -52.5 -55.8 -8.6 -12.1 22.0 208 211 A F H 3X S+ 0 0 3 -4,-0.7 4,-3.3 1,-0.2 5,-0.3 0.728 96.3 57.2 -40.9 -49.6 -8.3 -9.6 19.1 209 212 A K H S+ 0 0 5 -4,-3.3 4,-4.0 2,-0.3 5,-0.5 0.787 112.9 57.8 -84.0 -29.5 -11.8 -4.8 18.1 213 216 A V H <5S+ 0 0 7 -4,-3.7 -1,-0.2 -5,-0.3 4,-0.2 0.772 111.8 48.2 -66.4 -30.3 -15.5 -5.6 18.8 214 217 A A H <5S+ 0 0 0 -4,-1.2 4,-0.3 -5,-0.5 -2,-0.3 0.855 122.1 35.6 -64.1 -40.5 -14.8 -3.4 21.8 215 218 A R H ><5S+ 0 0 24 -4,-1.1 3,-0.6 2,-0.2 4,-0.3 0.870 110.8 49.4 -92.8 -46.2 -13.2 -0.8 19.5 216 219 A L G >X5S+ 0 0 30 -4,-4.0 4,-2.5 1,-0.2 3,-0.5 0.784 113.5 55.1 -67.7 -13.1 -14.9 -0.5 16.1 217 220 A S G 34< S+ 0 0 8 -4,-2.5 3,-2.5 -5,-0.2 2,-2.3 -0.345 72.9 165.9-113.1 54.5 -19.1 3.1 14.8 221 224 A P T 3 S+ 0 0 2 0, 0.0 77,-1.8 0, 0.0 -4,-0.1 -0.162 73.2 47.2 -77.8 41.9 -21.6 2.9 17.7 222 225 A K T 3 S+ 0 0 71 -2,-2.3 47,-0.1 46,-0.4 3,-0.1 0.170 78.5 120.5-140.1 -14.9 -24.7 2.3 15.6 223 226 A A S < S- 0 0 0 -3,-2.5 45,-0.1 45,-0.6 75,-0.1 -0.238 71.8-120.3 -42.3 117.9 -23.0 -0.4 13.4 224 227 A E > - 0 0 126 43,-0.4 4,-1.6 1,-0.1 5,-0.3 -0.325 20.9-106.4 -67.7 153.2 -25.3 -3.3 14.1 225 228 A F H > S+ 0 0 39 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.789 122.7 62.6 -50.1 -33.7 -23.7 -6.5 15.7 226 229 A A H >4 S+ 0 0 72 1,-0.2 3,-1.2 2,-0.1 -1,-0.2 0.972 108.5 40.6 -44.1 -66.5 -24.0 -8.0 12.2 227 230 A E H >4 S+ 0 0 55 1,-0.3 3,-0.9 2,-0.2 -2,-0.2 0.502 105.8 56.9 -74.7 -21.7 -21.6 -5.4 10.8 228 231 A V H >X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 3,-1.9 0.911 104.7 61.0 -69.0 -31.6 -18.9 -5.0 13.4 229 232 A S T << S+ 0 0 47 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.170 102.2 48.2 -88.5 23.5 -18.6 -8.7 12.8 230 233 A K T <4 S+ 0 0 115 -3,-0.9 -1,-0.3 3,-0.1 -2,-0.1 -0.213 115.8 45.5-137.1 33.1 -17.7 -8.2 9.2 231 234 A L T <4 S+ 0 0 2 -3,-1.9 -2,-0.2 30,-0.0 -3,-0.1 0.322 118.0 37.6-132.9 -38.1 -15.1 -5.6 10.2 232 235 A V S X S+ 0 0 0 -4,-2.9 4,-1.2 2,-0.2 3,-0.2 0.721 119.1 49.7 -85.6 -21.8 -13.3 -7.2 13.1 233 236 A T H > S+ 0 0 54 -5,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.691 115.2 47.0 -78.0 -18.6 -13.5 -10.7 11.4 234 237 A D H 4 S+ 0 0 49 2,-0.2 4,-0.3 1,-0.1 -2,-0.2 0.291 112.5 48.7-102.0 -4.5 -12.1 -8.8 8.3 235 238 A L H > S+ 0 0 16 -3,-0.2 4,-2.2 2,-0.1 5,-0.2 0.595 101.1 60.1-113.1 -37.3 -9.4 -7.0 10.3 236 239 A T H X S+ 0 0 13 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.969 105.1 52.5 -45.8 -70.6 -8.0 -10.0 12.1 237 240 A K H X S+ 0 0 111 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.644 113.5 43.5 -33.1 -53.8 -7.3 -11.5 8.6 238 241 A V H >> S+ 0 0 3 -4,-0.3 4,-1.2 2,-0.2 3,-0.9 0.986 119.5 40.6 -54.9 -72.1 -5.4 -8.3 7.6 239 242 A H H 3X S+ 0 0 5 -4,-2.2 4,-0.6 1,-0.3 -2,-0.2 0.748 109.9 58.6 -55.6 -35.9 -3.5 -7.9 10.9 240 243 A T H >X S+ 0 0 25 -4,-3.0 4,-3.7 -5,-0.2 3,-1.3 0.972 109.4 45.9 -56.1 -48.4 -2.8 -11.7 11.2 241 244 A E H + 0 0 32 -2,-0.3 4,-0.5 1,-0.2 -3,-0.2 -0.518 39.3 166.5 -78.9 94.2 3.2 -12.5 4.6 247 250 A L T >4 + 0 0 2 -2,-1.1 3,-3.3 -5,-0.2 2,-0.3 0.957 57.5 71.6 -56.5 -93.9 2.4 -8.8 4.2 248 251 A L T 3> S+ 0 0 3 1,-0.3 4,-1.2 2,-0.2 5,-0.2 0.365 96.3 53.7 0.2 -53.4 1.3 -8.3 0.5 249 252 A E H >> S+ 0 0 30 -2,-0.3 4,-3.4 2,-0.2 3,-1.0 0.989 107.2 58.7 -53.3 -51.9 -2.1 -10.1 1.0 250 253 A g H S+ 0 0 18 -3,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.472 105.7 61.6-126.8 -32.9 -8.8 -2.4 0.2 256 259 A D H < S+ 0 0 123 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.535 123.6 32.0 -56.5 -8.2 -10.4 -5.8 -0.2 257 260 A L H < S+ 0 0 7 -4,-0.5 4,-0.4 -5,-0.4 -2,-0.2 0.458 114.9 49.8-106.7 -81.6 -11.7 -4.1 2.9 258 261 A A H X S+ 0 0 5 -4,-0.7 4,-2.4 1,-0.3 2,-0.7 0.663 104.8 65.1 -36.4 -29.0 -11.9 -0.3 2.6 259 262 A K T < S+ 0 0 146 -4,-2.2 -1,-0.3 2,-0.2 -4,-0.1 -0.275 111.6 34.9 -86.3 41.1 -13.7 -0.9 -0.7 260 263 A Y T >> S+ 0 0 45 -2,-0.7 3,-2.9 -3,-0.1 4,-1.9 -0.027 117.6 49.2-141.0 -61.7 -16.5 -2.4 1.4 261 264 A I H >> S+ 0 0 9 -4,-0.4 3,-1.0 1,-0.3 4,-0.7 0.878 119.0 43.1 -36.1 -56.7 -16.4 -0.2 4.5 262 265 A h H 3< S+ 0 0 21 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.133 108.0 53.5 -98.2 22.1 -16.4 2.7 2.2 263 266 A E H <4 S+ 0 0 146 -3,-2.9 -1,-0.3 2,-0.0 3,-0.2 0.529 113.6 47.6-106.7 -13.7 -19.0 1.7 -0.3 264 267 A N H X< S+ 0 0 53 -4,-1.9 3,-2.6 -3,-1.0 4,-0.3 0.456 73.6 144.8-103.9 -13.1 -21.4 1.1 2.7 265 268 A Q G >X + 0 0 73 -4,-0.7 4,-1.5 1,-0.3 3,-0.6 0.380 65.9 46.3 21.2 -64.3 -20.6 4.5 4.4 266 269 A D G 34 S+ 0 0 142 1,-0.2 -1,-0.3 -2,-0.2 4,-0.3 0.745 105.2 55.4 -90.1 -23.2 -24.1 5.2 5.9 267 270 A S G <4 S+ 0 0 60 -3,-2.6 -43,-0.4 2,-0.1 -1,-0.2 0.379 118.7 36.3 -83.1 10.1 -25.0 1.8 7.4 268 271 A I T <4 S- 0 0 1 -3,-0.6 -45,-0.6 -4,-0.3 -46,-0.4 0.771 128.0 -27.3-131.0 -65.8 -21.7 2.0 9.4 269 272 A S < - 0 0 0 -4,-1.5 2,-0.5 -47,-0.1 3,-0.3 0.065 50.6-145.5-162.2 61.9 -20.3 5.2 10.8 270 273 A S S S+ 0 0 65 -4,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.160 85.8 77.8 8.6 -64.5 -21.2 8.5 9.0 271 274 A K + 0 0 85 -2,-0.5 4,-0.3 1,-0.3 -1,-0.3 0.339 67.6 87.7 -53.6 1.8 -17.9 10.2 9.6 272 275 A L + 0 0 0 -2,-0.3 -1,-0.3 -3,-0.3 -7,-0.1 -0.209 56.8 101.9 -95.8 43.6 -15.9 8.3 7.0 273 276 A K S S+ 0 0 119 3,-0.1 4,-0.4 4,-0.1 3,-0.1 0.897 77.4 50.9 -68.5 -74.9 -16.9 10.8 4.2 274 277 A E S > S+ 0 0 109 1,-0.3 3,-3.3 2,-0.2 2,-2.7 0.665 106.9 53.1 -25.1 -62.9 -13.6 12.7 4.2 275 278 A i T 3 S+ 0 0 2 1,-0.3 -1,-0.3 -4,-0.3 3,-0.1 -0.273 103.0 56.8 -87.1 64.6 -11.4 9.6 3.9 276 279 A h T 3 S+ 0 0 20 -2,-2.7 -1,-0.3 -3,-0.1 -2,-0.2 0.046 98.5 60.5-176.1 -12.7 -13.3 8.3 0.9 277 280 A E S < S+ 0 0 145 -3,-3.3 -2,-0.1 -4,-0.4 -4,-0.1 -0.639 95.9 92.2-103.3 56.7 -12.5 11.5 -0.8 278 281 A K S >S- 0 0 69 -3,-0.1 5,-0.5 3,-0.0 8,-0.0 -0.691 90.2-100.6-152.3 113.5 -8.9 10.4 -0.3 279 282 A P T > 5 - 0 0 85 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.115 53.2 -97.4 -23.2 118.2 -6.6 8.4 -2.7 280 283 A L G > 5S+ 0 0 92 1,-0.2 3,-4.2 2,-0.2 4,-0.4 0.382 119.9 58.6 -14.5 -92.3 -6.6 4.8 -1.5 281 284 A L G > 5S+ 0 0 53 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.465 109.9 42.6 9.7 -80.1 -3.4 4.9 0.5 282 285 A E G X 5S+ 0 0 56 -3,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.596 100.3 72.0 -71.9 -22.1 -4.6 7.8 2.8 283 286 A K G X>XS+ 0 0 34 -3,-4.2 3,-2.1 -5,-0.5 4,-1.9 0.997 95.8 53.0 -42.2 -67.7 -8.0 6.2 3.2 284 287 A S G <45S+ 0 0 14 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.336 110.1 48.3 -71.6 17.1 -6.4 3.5 5.4 285 288 A H G <45S+ 0 0 30 -3,-1.2 -1,-0.3 -2,-0.5 -2,-0.1 -0.197 110.7 47.1-142.0 40.3 -4.8 6.2 7.6 286 289 A i T <>5S+ 0 0 15 -3,-2.1 4,-1.1 -11,-0.1 -2,-0.2 0.196 122.0 36.5-115.1 -51.9 -7.8 8.3 8.2 287 290 A I T <5S+ 0 0 20 -4,-1.9 3,-0.2 -5,-0.2 -3,-0.2 0.899 110.2 73.8 -58.2 -51.2 -10.0 5.3 9.0 288 291 A A T 4 S+ 0 0 94 44,-0.2 3,-4.5 1,-0.1 44,-0.0 0.870 124.5 84.4 -89.3 -46.5 -27.9 -19.6 30.0 315 318 A N T 3 S+ 0 0 139 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.553 108.2 25.4 -33.5 -35.7 -31.2 -19.9 28.1 316 319 A Y T 3 S+ 0 0 106 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 -0.098 117.1 72.8-122.1 34.2 -30.2 -17.1 25.7 317 320 A A < + 0 0 13 -3,-4.5 -1,-0.1 1,-0.1 -2,-0.1 -0.501 49.7 107.8-158.0 50.5 -26.6 -17.8 26.2 318 321 A E + 0 0 153 -3,-0.2 2,-0.9 1,-0.1 3,-0.1 0.264 66.3 81.7-111.1 6.7 -25.7 -21.0 24.5 319 322 A A > - 0 0 47 1,-0.2 4,-1.1 -3,-0.1 5,-0.2 -0.927 66.6-175.7 -95.9 99.5 -23.9 -19.0 22.0 320 323 A K H >> S+ 0 0 128 -2,-0.9 3,-1.4 2,-0.1 4,-1.4 0.964 75.4 41.1 -55.0 -68.0 -20.7 -18.6 24.0 321 324 A D H 3> S+ 0 0 94 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.726 118.1 42.3 -55.7 -47.4 -18.8 -16.3 21.6 322 325 A V H 3> S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.727 106.5 61.2 -82.4 -18.7 -21.7 -14.0 20.5 323 326 A F H XX S+ 0 0 27 -3,-1.4 4,-1.9 -4,-1.1 3,-0.7 0.990 111.6 39.4 -65.5 -56.0 -23.3 -13.5 23.9 324 327 A L H 3X S+ 0 0 29 -4,-1.4 4,-1.4 1,-0.3 -2,-0.2 0.912 112.9 58.2 -55.7 -43.8 -20.1 -11.9 25.2 325 328 A G H 3X S+ 0 0 13 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.3 0.844 108.8 44.7 -56.1 -36.5 -19.7 -10.2 21.9 326 329 A M H X S+ 0 0 5 -4,-1.9 4,-2.5 -3,-0.2 3,-1.4 0.827 116.1 41.4 -65.4 -79.8 -22.2 -7.7 26.0 328 331 A L H 3X S+ 0 0 7 -4,-1.4 4,-5.1 1,-0.3 -2,-0.2 0.589 118.4 46.2 -25.7 -67.0 -18.9 -6.1 24.9 329 332 A Y H 3X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 -1,-0.3 0.806 118.0 40.5 -51.7 -53.7 -20.4 -4.4 21.8 330 333 A E H < S+ 0 0 29 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.985 113.5 53.8 -67.6 -37.3 -21.5 -2.1 26.6 332 335 A A H >< S+ 0 0 0 -4,-5.1 3,-1.8 -5,-0.3 -2,-0.2 0.895 100.2 62.2 -62.1 -46.7 -18.9 -0.7 24.1 333 336 A R H 3< S+ 0 0 5 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.774 105.6 41.2 -43.6 -52.2 -21.5 1.5 22.4 334 337 A R T << S+ 0 0 53 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.139 105.4 70.5 -94.5 18.4 -22.4 3.7 25.4 335 338 A H X + 0 0 33 -3,-1.8 3,-1.6 -4,-0.1 -1,-0.2 -0.241 31.6 139.5-142.0 60.6 -18.9 4.2 26.7 336 339 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.551 80.3 68.0 -68.2 -3.9 -16.6 6.3 24.7 337 340 A D T 3 S+ 0 0 65 -3,-0.1 2,-0.4 106,-0.1 106,-0.2 0.533 92.5 63.3-101.7 4.2 -15.7 7.5 28.1 338 341 A Y S < S- 0 0 39 -3,-1.6 2,-0.2 -6,-0.2 -3,-0.1 -0.971 87.1-113.1-126.1 143.0 -14.1 4.2 29.2 339 342 A S >> - 0 0 0 -2,-0.4 4,-2.2 1,-0.1 3,-1.3 -0.398 19.2-124.1 -74.5 145.0 -11.0 2.6 27.7 340 343 A V H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.900 111.8 59.0 -48.8 -59.6 -11.2 -0.7 25.8 341 344 A V H 3> S+ 0 0 19 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.778 111.2 43.6 -45.8 -32.9 -8.6 -2.3 28.0 342 345 A L H X> S+ 0 0 0 -3,-1.3 3,-2.7 2,-0.2 4,-1.0 0.992 111.8 50.3 -70.6 -59.2 -10.9 -1.5 30.9 343 346 A L H 3X S+ 0 0 2 -4,-2.2 4,-1.0 1,-0.3 -2,-0.2 0.716 102.6 62.6 -55.2 -25.4 -14.1 -2.6 29.2 344 347 A L H 3< S+ 0 0 9 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.804 101.2 52.7 -72.3 -29.2 -12.3 -5.9 28.3 345 348 A R H << S+ 0 0 43 -3,-2.7 4,-0.4 -4,-0.7 3,-0.4 0.722 107.2 50.4 -66.9 -35.3 -12.1 -6.5 32.1 346 349 A L H X S+ 0 0 0 -4,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.694 106.2 58.0 -73.1 -18.2 -15.9 -5.9 32.3 347 350 A A T < S+ 0 0 4 -4,-1.0 4,-0.4 -5,-0.3 -2,-0.2 0.437 108.1 45.4 -94.5 2.4 -16.1 -8.4 29.5 348 351 A K T > S+ 0 0 87 -3,-0.4 4,-0.7 2,-0.1 5,-0.2 0.427 107.6 55.5-117.8 2.6 -14.3 -10.9 31.7 349 352 A T T 4 S+ 0 0 28 -4,-0.4 4,-0.2 3,-0.2 -2,-0.2 0.480 111.3 45.9-106.8 -9.2 -16.3 -10.3 34.9 350 353 A Y T X S+ 0 0 3 -4,-0.9 4,-2.3 3,-0.1 5,-0.4 0.816 115.9 45.5 -67.7 -77.0 -19.4 -11.0 33.0 351 354 A E T 4 S+ 0 0 58 -4,-0.4 -2,-0.1 1,-0.2 -3,-0.1 0.567 119.4 38.7 -40.5 -47.3 -17.9 -14.2 31.3 352 355 A T T >X S+ 0 0 77 -4,-0.7 3,-2.9 2,-0.1 4,-1.7 0.959 120.7 44.0 -64.4 -65.2 -16.4 -15.7 34.5 353 356 A T H >> S+ 0 0 25 1,-0.3 4,-1.1 2,-0.3 3,-0.6 0.863 108.4 55.2 -50.9 -52.7 -19.2 -14.7 36.8 354 357 A L H 3< S+ 0 0 5 -4,-2.3 -1,-0.3 1,-0.3 -3,-0.1 0.617 113.1 45.6 -57.5 -15.3 -22.1 -15.7 34.5 355 358 A E H X4 S+ 0 0 111 -3,-2.9 3,-0.6 -5,-0.4 4,-0.4 0.694 103.8 62.0 -95.9 -27.0 -20.3 -19.1 34.5 356 359 A K H << S+ 0 0 161 -4,-1.7 -2,-0.2 -3,-0.6 4,-0.2 0.574 124.2 19.1 -59.9 -21.7 -19.9 -18.8 38.3 357 360 A k T 3< S+ 0 0 28 -4,-1.1 -1,-0.2 -5,-0.3 10,-0.2 -0.125 98.9 78.7-161.7 47.9 -23.7 -18.8 38.3 358 361 A j S < S+ 0 0 20 -3,-0.6 -44,-0.2 -45,-0.1 -3,-0.1 0.095 104.0 54.9-102.3 -10.8 -25.4 -20.1 35.3 359 362 A A S S+ 0 0 73 -4,-0.4 3,-0.2 1,-0.2 -2,-0.1 0.868 98.0 30.9 -80.3 -91.2 -24.4 -23.4 36.9 360 363 A A S S- 0 0 77 -4,-0.2 -1,-0.2 1,-0.2 0, 0.0 -0.327 97.8 -16.7-100.5 143.7 -25.4 -24.2 40.5 361 364 A A S S- 0 0 98 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.622 88.4-105.1 66.8 56.2 -28.0 -23.7 43.2 362 365 A D + 0 0 141 -3,-0.2 2,-0.1 -4,-0.1 -1,-0.1 0.533 60.8 89.6 -46.6 164.7 -30.1 -20.7 42.1 363 366 A P > - 0 0 93 0, 0.0 3,-0.5 0, 0.0 -3,-0.0 -0.028 53.7-107.7-131.3-128.7 -31.1 -18.0 41.9 364 367 A H G >> S+ 0 0 64 1,-0.2 3,-1.7 -2,-0.1 4,-0.6 0.752 87.8 90.5 -88.5 -26.5 -30.3 -14.8 40.1 365 368 A E G >4 S+ 0 0 156 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.753 73.2 77.0 -51.4 -26.1 -28.8 -12.4 42.6 366 369 A k G <4 S+ 0 0 55 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.863 108.1 29.7 -46.9 -58.5 -25.3 -13.8 41.8 367 370 A Y G X4 S+ 0 0 8 -3,-1.7 3,-1.2 -10,-0.2 2,-0.5 0.321 93.0 127.6 -81.7 1.5 -25.2 -11.7 38.6 368 371 A A T << S- 0 0 43 -3,-2.1 4,-0.1 -4,-0.6 -60,-0.1 -0.518 90.7 -15.7 -61.7 115.8 -27.5 -9.1 40.2 369 372 A K T > + 0 0 101 -2,-0.5 3,-1.0 2,-0.1 -1,-0.3 0.932 66.1 161.8 34.9 61.9 -25.6 -5.9 39.6 370 373 A V T X> S+ 0 0 1 -3,-1.2 3,-2.9 1,-0.2 4,-2.8 0.868 81.1 75.6 -44.6 -39.2 -22.3 -7.2 38.7 371 374 A F H 3> S+ 0 0 60 1,-0.3 4,-0.7 -4,-0.3 -1,-0.2 0.767 93.5 51.9 -44.6 -25.1 -22.7 -3.6 37.7 372 375 A D H <4 S+ 0 0 89 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 -0.266 115.3 32.7-123.4 37.8 -22.2 -3.1 41.4 373 376 A E H <4 S+ 0 0 82 -3,-2.9 4,-0.3 4,-0.0 -2,-0.2 0.082 103.6 73.1-144.2 3.2 -19.1 -5.0 42.1 374 377 A F H >< S+ 0 0 2 -4,-2.8 3,-2.1 1,-0.2 -2,-0.1 0.989 78.5 88.3 -49.2 -57.9 -17.5 -4.3 38.7 375 378 A K T >X S+ 0 0 101 -4,-0.7 3,-0.7 1,-0.3 4,-0.6 0.294 72.5 62.9 -41.0 -16.3 -17.0 -0.9 40.1 376 379 A P H >> S+ 0 0 83 0, 0.0 2,-2.8 0, 0.0 3,-2.6 0.995 102.5 52.8 -57.2 -56.9 -13.7 -1.6 41.7 377 380 A L H <4 S+ 0 0 42 -3,-2.1 -2,-0.2 -4,-0.3 -32,-0.1 -0.263 111.3 46.0 -76.4 50.3 -12.3 -2.2 38.2 378 381 A V H <> S+ 0 0 9 -2,-2.8 4,-0.6 -3,-0.7 -1,-0.3 0.098 105.3 59.9-161.5 -17.5 -13.6 1.2 36.8 379 382 A E H S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.994 113.0 53.5 -55.2 -74.0 -8.2 4.2 36.1 382 385 A Q H < S+ 0 0 121 -4,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.663 122.0 37.4 -30.8 -29.6 -10.6 7.2 36.8 383 386 A N H >< S+ 0 0 69 -4,-1.8 3,-1.4 2,-0.1 4,-0.2 0.882 106.8 58.8 -89.9 -62.0 -8.4 7.6 39.8 384 387 A L H 3< S+ 0 0 32 -4,-3.3 -2,-0.2 1,-0.3 -4,-0.1 0.717 92.1 71.5 -41.7 -41.0 -4.8 6.8 38.6 385 388 A I T 3< S+ 0 0 15 -4,-1.8 -1,-0.3 1,-0.2 4,-0.3 0.241 91.1 64.4 -65.4 15.4 -5.0 9.5 36.0 386 389 A K S <> S+ 0 0 119 -3,-1.4 4,-1.0 -5,-0.2 5,-0.5 0.740 107.0 36.0 -92.8 -66.9 -4.8 11.8 39.1 387 390 A Q T 4 S+ 0 0 98 -4,-0.2 2,-0.2 2,-0.2 -2,-0.2 -0.017 125.3 47.5 -82.4 25.3 -1.3 10.7 40.2 388 391 A N T >> S+ 0 0 7 -5,-0.2 2,-2.7 43,-0.0 4,-1.2 0.185 119.6 34.9 -96.8 -79.2 -0.7 10.6 36.5 389 392 A l T 34 S+ 0 0 8 -4,-0.3 -2,-0.2 1,-0.2 -4,-0.1 0.041 121.2 42.4 -81.3 41.3 -2.2 13.9 35.7 390 393 A E T 3< S+ 0 0 106 -2,-2.7 4,-0.3 -4,-1.0 -1,-0.2 0.546 102.9 57.6-134.1 -50.5 -1.3 16.0 38.7 391 394 A L T <4 S+ 0 0 40 -3,-0.6 -2,-0.2 -5,-0.5 9,-0.1 0.856 122.5 37.5 -45.1 -32.9 2.4 15.2 39.5 392 395 A F S >X S+ 0 0 16 -4,-1.2 4,-1.2 2,-0.1 3,-1.1 0.955 109.2 61.6 -81.3 -58.8 2.7 16.3 36.0 393 396 A E G >4 S+ 0 0 127 1,-0.3 2,-1.7 2,-0.2 3,-1.0 0.680 125.3 9.4 -34.2 -93.8 0.2 19.2 35.7 394 397 A Q G 34 S+ 0 0 174 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.718 135.9 52.5 -90.7 69.9 1.5 21.7 38.3 395 398 A L G <4 S- 0 0 112 -2,-1.7 5,-0.4 -3,-1.1 -2,-0.2 0.353 111.6 -29.2 174.7 17.6 4.7 19.8 38.8 396 399 A G << - 0 0 12 -4,-1.2 -3,-0.1 -3,-1.0 -2,-0.1 0.715 21.7-169.3 126.2 104.7 6.4 19.0 35.4 397 400 A E S S- 0 0 99 -4,-0.2 35,-0.2 1,-0.2 34,-0.1 0.953 105.0 -6.7 -55.4 -74.8 6.3 18.4 31.7 398 401 A Y S S+ 0 0 62 2,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.237 128.5 71.5-114.0 -7.3 9.9 17.2 31.0 399 402 A K S > S+ 0 0 117 1,-0.1 2,-1.5 -7,-0.1 3,-1.4 0.764 113.5 16.2 -65.7 -94.0 11.3 17.9 34.5 400 403 A F T 3 S+ 0 0 85 -5,-0.4 3,-0.2 1,-0.3 -2,-0.1 -0.290 86.4 105.2 -94.8 56.0 9.7 15.2 36.6 401 404 A Q T > S+ 0 0 12 -2,-1.5 3,-1.0 1,-0.1 2,-0.6 0.490 76.3 75.0 -76.2 -24.2 8.5 12.9 33.9 402 405 A N T < S+ 0 0 8 -3,-1.4 4,-0.3 1,-0.2 -1,-0.1 -0.222 72.4 81.6 -80.8 47.0 11.6 11.3 35.5 403 406 A A T 3> S+ 0 0 16 -2,-0.6 4,-2.5 -3,-0.2 -1,-0.2 0.616 85.0 55.4-102.2 -40.6 9.3 10.5 38.5 404 407 A L H <> S+ 0 0 6 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.745 105.2 55.5 -69.7 -20.9 8.0 7.4 36.7 405 408 A L H >>S+ 0 0 4 -4,-0.4 4,-3.4 2,-0.2 5,-0.5 0.982 106.3 48.3 -59.9 -67.8 11.6 6.3 36.4 406 409 A V H 45S+ 0 0 34 -4,-0.3 4,-0.4 1,-0.2 -2,-0.2 0.847 116.0 47.1 -40.2 -44.2 12.1 6.6 40.2 407 410 A R H >X5S+ 0 0 80 -4,-2.5 4,-2.4 2,-0.2 3,-1.4 1.000 121.4 33.2 -62.9 -61.4 8.9 4.6 40.5 408 411 A Y H 3X5S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.3 -2,-0.2 0.942 113.1 57.6 -68.3 -47.7 9.8 1.9 38.0 409 412 A T H 3<5S+ 0 0 1 -4,-3.4 -1,-0.3 -5,-0.2 -3,-0.2 0.672 115.9 42.4 -51.7 -21.6 13.5 1.8 38.6 410 413 A K H <4< S+ 0 0 2 -4,-2.8 3,-0.6 -5,-0.3 -1,-0.3 -0.651 73.9 166.3-151.5 77.3 11.4 -3.3 39.1 413 416 A P T 3 + 0 0 5 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.104 61.4 65.3-103.0 33.4 15.1 -2.6 39.2 414 417 A Q T 3 + 0 0 75 -2,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.512 65.0 107.2-126.4 -14.6 16.6 -5.2 36.9 415 418 A V S < S- 0 0 1 -3,-0.6 5,-0.1 1,-0.1 2,-0.1 -0.247 90.5 -78.4 -53.5 154.0 15.2 -4.3 33.4 416 419 A S > - 0 0 42 3,-0.1 4,-1.0 1,-0.1 -1,-0.1 -0.415 37.7-117.9 -65.7 142.0 18.1 -2.8 31.3 417 420 A T H >> S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.867 118.6 41.1 -50.3 -46.5 19.1 0.8 32.0 418 421 A P H 3> S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.997 110.0 58.6 -57.6 -52.4 18.2 1.8 28.5 419 422 A T H 34 S+ 0 0 13 2,-0.2 -2,-0.2 1,-0.2 4,-0.2 0.409 110.8 44.4 -65.6 -5.1 15.1 -0.4 28.6 420 423 A L H XX S+ 0 0 6 -3,-1.0 4,-2.0 -4,-1.0 3,-1.4 0.673 113.6 48.6 -84.1 -69.9 14.0 1.7 31.6 421 424 A V H 3< S+ 0 0 9 -4,-2.0 4,-0.4 1,-0.3 -2,-0.2 0.476 109.1 54.0 -54.3 -8.4 14.9 5.0 29.9 422 425 A E T 3X S+ 0 0 67 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.3 0.906 124.5 26.1 -80.7 -48.7 13.1 4.1 26.7 423 426 A V H <>>S+ 0 0 6 -3,-1.4 4,-1.8 -5,-0.3 5,-0.9 0.984 113.0 66.7 -70.4 -59.0 9.9 3.4 28.7 424 427 A S H <5S+ 0 0 3 -4,-2.0 -3,-0.2 1,-0.3 -20,-0.1 0.792 116.7 27.4 -35.7 -54.6 10.6 5.7 31.7 425 428 A R H >5S+ 0 0 30 -4,-0.4 4,-2.9 2,-0.2 -1,-0.3 0.868 120.1 57.3 -74.0 -40.9 10.3 8.8 29.5 426 429 A N H <5S+ 0 0 24 -4,-1.6 -2,-0.2 2,-0.3 -3,-0.2 0.984 112.9 37.6 -55.4 -61.0 8.0 7.2 26.9 427 430 A L T <5S+ 0 0 2 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.567 111.5 66.9 -67.5 -11.1 5.2 6.2 29.4 428 431 A G T >4S+ 0 0 2 -2,-2.3 5,-0.8 -3,-0.5 4,-0.7 0.879 86.4 60.8 -77.6 -46.5 1.4 10.3 28.5 431 434 A G T X>>S+ 0 0 8 -3,-2.2 4,-1.2 -4,-0.3 3,-0.8 0.908 112.2 39.3 -45.9 -46.8 1.4 13.2 31.0 432 435 A S H 3>5S+ 0 0 59 1,-0.2 2,-1.4 -4,-0.2 4,-1.1 0.969 118.4 41.7 -65.3 -73.0 2.0 15.5 28.1 433 436 A K H 3<5S+ 0 0 149 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.095 127.5 23.1 -76.9 27.5 -0.2 14.2 25.2 434 437 A m H <45S+ 0 0 2 -2,-1.4 3,-0.3 -3,-0.8 -1,-0.2 0.451 108.9 59.8-155.6 -38.4 -3.3 13.4 27.3 435 438 A l H < S+ 0 0 36 -2,-0.3 3,-0.9 2,-0.1 -1,-0.2 0.863 135.2 68.6 -58.2 -62.2 -13.8 11.3 28.6 441 444 A K T 3> S+ 0 0 105 1,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.511 90.7 68.1 -42.4 -26.5 -11.4 11.7 25.8 442 445 A R H >> S+ 0 0 49 -4,-0.2 4,-1.7 2,-0.1 3,-0.8 0.996 99.5 39.7 -50.6 -75.7 -8.6 11.4 28.4 443 446 A M H <>>S+ 0 0 11 -3,-0.9 4,-1.9 -4,-0.4 5,-0.5 0.881 105.8 60.9 -57.8 -44.9 -8.9 7.8 29.6 444 447 A P H 3>5S+ 0 0 26 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.928 115.5 39.6 -49.0 -34.1 -9.6 6.0 26.3 445 448 A m H X S+ 0 0 69 -4,-3.0 4,-2.1 2,-0.2 3,-1.3 0.994 115.4 48.3 -59.8 -59.1 -1.3 4.3 25.5 450 453 A L H 3> S+ 0 0 7 -4,-0.4 4,-2.3 1,-0.3 5,-0.3 0.919 108.7 57.9 -40.5 -41.6 0.2 3.2 28.8 451 454 A S H 3X S+ 0 0 9 -4,-3.4 4,-1.0 1,-0.3 -1,-0.3 0.802 104.5 49.0 -63.2 -39.6 -1.0 -0.2 27.6 452 455 A V H > - 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