==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUN-09 3HPG . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MAEDI VISNA VIRUS; . AUTHOR S.HARE,A.LABEJA,P.CHEREPANOV . 1607 25 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 80793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1168 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 84 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 738 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 9 3 0 1 13 12 6 6 0 11 15 0 2 0 0 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 3 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 . 6 0 0 0 0 6 6 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 6 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 N > 0 0 124 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -3.0 2.4 34.9 -5.9 2 5 A I H > + 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.850 360.0 52.1 -59.0 -37.7 -0.1 32.3 -7.1 3 6 A P H > S+ 0 0 87 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.828 110.9 48.8 -72.9 -28.6 0.9 32.4 -10.7 4 7 A L H > S+ 0 0 72 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.957 109.8 50.9 -67.1 -53.5 4.6 31.9 -9.8 5 8 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.887 111.0 49.4 -50.4 -43.9 3.7 28.9 -7.5 6 9 A E H X S+ 0 0 89 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.865 112.5 47.6 -65.9 -36.9 1.8 27.3 -10.3 7 10 A E H X S+ 0 0 125 -4,-1.3 4,-0.5 -3,-0.3 -2,-0.2 0.933 114.4 44.9 -68.5 -48.4 4.6 27.8 -12.8 8 11 A E H X S+ 0 0 33 -4,-2.9 4,-1.6 1,-0.2 5,-0.3 0.741 109.2 57.8 -71.0 -26.4 7.2 26.4 -10.4 9 12 A H H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.2 0.941 97.9 59.4 -67.2 -45.8 4.9 23.5 -9.5 10 13 A N H < S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.734 110.2 46.1 -55.1 -19.8 4.7 22.4 -13.1 11 14 A K H < S+ 0 0 33 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.903 132.3 10.7 -84.8 -45.9 8.5 22.0 -12.9 12 15 A W H < S- 0 0 2 -4,-1.6 -2,-0.2 -3,-0.1 -3,-0.2 0.609 84.7-135.9-117.2 -25.9 9.0 20.2 -9.6 13 16 A H < - 0 0 12 -4,-3.0 -4,-0.1 -5,-0.3 -3,-0.1 0.912 34.5-177.9 65.3 56.6 5.5 19.0 -8.5 14 17 A Q - 0 0 8 1,-0.2 -1,-0.1 -6,-0.1 1169,-0.1 -0.249 31.2 -81.5 -81.1 163.7 5.6 19.9 -4.8 15 18 A D > - 0 0 86 1,-0.1 4,-1.6 1169,-0.1 -1,-0.2 -0.001 35.1-117.2 -42.2 162.3 3.0 19.3 -2.0 16 19 A A H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.1 -1,-0.1 0.816 123.2 51.9 -67.3 -34.5 0.2 21.7 -1.6 17 20 A V H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.855 107.4 49.9 -71.5 -36.2 1.9 22.3 1.8 18 21 A S H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.906 109.5 51.4 -68.5 -42.0 5.3 22.9 0.1 19 22 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 6,-0.7 0.894 112.6 47.3 -60.0 -40.7 3.7 25.4 -2.3 20 23 A H H X S+ 0 0 41 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.940 113.3 46.5 -64.9 -48.8 2.2 27.2 0.6 21 24 A L H < S+ 0 0 45 -4,-2.5 -1,-0.2 1163,-0.2 -2,-0.2 0.676 118.6 40.2 -72.1 -18.7 5.3 27.3 2.7 22 25 A E H < S+ 0 0 72 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.842 126.8 25.6-100.5 -38.5 7.6 28.5 -0.1 23 26 A F H < S- 0 0 26 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.1 0.327 97.3-126.8-106.3 3.2 5.6 31.1 -2.1 24 27 A G < + 0 0 62 -4,-1.1 -4,-0.2 -5,-0.2 -3,-0.1 0.757 53.5 155.4 55.7 29.4 3.4 32.1 0.8 25 28 A I - 0 0 4 -6,-0.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.507 57.9 -82.8 -80.7 155.3 0.2 31.5 -1.2 26 29 A P >> - 0 0 75 0, 0.0 4,-2.0 0, 0.0 3,-1.7 -0.372 40.1-123.9 -56.6 132.0 -3.1 30.7 0.7 27 30 A R H 3> S+ 0 0 149 1,-0.3 4,-1.7 2,-0.2 -7,-0.1 0.684 112.9 56.2 -63.2 -12.7 -3.0 27.0 1.4 28 31 A T H 3> S+ 0 0 99 2,-0.2 4,-0.7 1,-0.1 -1,-0.3 0.798 106.1 49.3 -80.2 -31.0 -6.3 26.7 -0.5 29 32 A A H <> S+ 0 0 15 -3,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.853 112.8 49.1 -70.6 -35.7 -4.8 28.3 -3.6 30 33 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.913 105.6 54.4 -69.9 -45.0 -1.9 25.8 -3.2 31 34 A E H X S+ 0 0 99 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.752 108.6 54.0 -59.5 -21.4 -4.2 22.8 -2.8 32 35 A D H X S+ 0 0 83 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.907 100.6 55.0 -78.6 -46.3 -5.7 24.0 -6.1 33 36 A I H < S+ 0 0 9 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.886 113.7 44.4 -53.5 -39.8 -2.5 24.1 -8.1 34 37 A V H >< S+ 0 0 31 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.860 112.6 50.1 -75.1 -37.5 -2.0 20.4 -7.1 35 38 A Q H 3< S+ 0 0 130 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.801 111.7 48.9 -69.8 -27.7 -5.6 19.4 -7.8 36 39 A Q T 3< S+ 0 0 128 -4,-2.5 2,-0.7 -5,-0.1 -1,-0.2 0.329 87.5 102.8 -94.5 5.8 -5.5 21.0 -11.3 37 40 A C <> - 0 0 8 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 -0.816 56.2-161.8 -93.3 115.0 -2.2 19.3 -12.2 38 41 A D H > S+ 0 0 123 -2,-0.7 4,-1.9 1,-0.2 5,-0.2 0.939 89.3 56.1 -60.0 -47.4 -2.8 16.4 -14.6 39 42 A V H 4 S+ 0 0 49 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.902 112.1 41.4 -49.4 -51.6 0.6 14.9 -13.8 40 43 A C H >4 S+ 0 0 13 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.840 112.1 55.1 -70.1 -36.3 -0.0 14.8 -10.1 41 44 A Q H 3< S+ 0 0 96 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.735 104.2 54.2 -67.9 -26.2 -3.6 13.6 -10.5 42 45 A E T 3< S+ 0 0 143 -4,-1.9 2,-0.3 -3,-0.3 -1,-0.2 0.639 114.8 44.9 -82.1 -10.9 -2.4 10.7 -12.6 43 46 A N < + 0 0 35 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.2 -0.814 67.9 157.2-136.5 93.7 -0.1 9.7 -9.7 44 47 A K 0 0 87 -2,-0.3 -3,-0.0 -3,-0.2 -4,-0.0 -0.771 360.0 360.0-110.1 163.5 -1.3 9.7 -6.1 45 48 A M 0 0 138 -2,-0.3 1108,-0.0 1111,-0.0 -2,-0.0 -0.135 360.0 360.0 -72.1 360.0 0.3 7.7 -3.2 46 ! 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 47 59 A G > 0 0 65 0, 0.0 3,-0.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 113.0 3.4 -0.2 14.5 48 60 A I T 3 - 0 0 68 1,-0.2 53,-0.1 22,-0.1 54,-0.1 -0.384 360.0 -1.3 -90.3 150.8 1.0 2.4 15.9 49 61 A D T 3 S+ 0 0 2 1,-0.2 52,-2.8 -2,-0.1 53,-1.8 0.827 92.6 137.4 46.3 37.1 -1.0 2.5 19.1 50 62 A H E < -a 102 0A 31 -3,-0.8 19,-2.2 51,-0.2 20,-0.4 -0.966 31.9-173.8-111.6 124.7 0.5 -0.9 19.9 51 63 A W E -aB 103 68A 0 51,-2.2 53,-2.1 -2,-0.5 2,-0.4 -0.786 20.0-143.5-116.9 155.7 1.7 -1.5 23.4 52 64 A Q E -aB 104 67A 21 15,-2.2 15,-2.6 -2,-0.3 2,-0.4 -0.977 17.5-155.4-114.1 137.0 3.5 -4.2 25.4 53 65 A V E + B 0 66A 0 51,-2.4 53,-0.4 -2,-0.4 2,-0.3 -0.929 20.2 159.3-111.3 135.9 2.6 -5.0 29.0 54 66 A D E - B 0 65A 39 11,-1.5 11,-3.1 -2,-0.4 2,-0.4 -0.985 35.1-126.0-146.3 155.9 4.8 -6.5 31.6 55 67 A Y E - B 0 64A 25 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.858 29.2-172.7 -95.7 136.3 5.0 -6.7 35.4 56 68 A T E - B 0 63A 12 7,-3.0 7,-2.5 -2,-0.4 2,-0.4 -0.992 13.3-139.3-131.0 142.9 8.2 -5.6 36.9 57 69 A H E + B 0 62A 102 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.811 17.6 177.8-103.3 138.9 9.4 -5.8 40.6 58 70 A Y - 0 0 19 3,-2.4 -2,-0.0 -2,-0.4 0, 0.0 -0.787 68.0 -40.2-139.3 94.2 11.3 -3.1 42.5 59 71 A E S S- 0 0 119 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.942 120.1 -37.3 65.3 61.0 12.1 -3.8 46.2 60 72 A D S S+ 0 0 171 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.949 120.1 107.2 50.8 53.5 9.0 -5.5 47.5 61 73 A K - 0 0 55 2,-0.0 -3,-2.4 -5,-0.0 2,-0.4 -0.868 62.9-140.2-159.4 120.0 6.8 -3.2 45.3 62 74 A I E -BC 57 79A 35 17,-0.6 17,-1.9 -2,-0.3 2,-0.4 -0.753 16.2-168.5 -97.4 137.0 5.0 -4.3 42.2 63 75 A I E -BC 56 78A 2 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.7 -0.975 15.3-149.7-128.7 120.9 4.9 -2.2 39.0 64 76 A L E -BC 55 77A 0 13,-2.5 13,-1.8 -2,-0.4 2,-0.6 -0.815 23.3-165.2 -87.6 116.8 2.7 -2.7 35.9 65 77 A V E -BC 54 76A 0 -11,-3.1 -11,-1.5 -2,-0.7 2,-0.3 -0.888 10.3-174.6-118.4 105.4 4.7 -1.3 33.0 66 78 A W E -BC 53 75A 0 9,-3.0 9,-2.7 -2,-0.6 2,-0.4 -0.735 5.7-168.7 -90.4 137.4 3.0 -0.5 29.6 67 79 A V E -BC 52 74A 3 -15,-2.6 -15,-2.2 -2,-0.3 2,-0.7 -0.947 20.5-138.8-132.9 118.2 5.2 0.6 26.7 68 80 A E E >> -B 51 0A 0 5,-2.4 4,-2.8 -2,-0.4 3,-0.6 -0.607 19.4-150.2 -70.1 111.6 4.0 2.0 23.4 69 81 A T T 34 S+ 0 0 16 -19,-2.2 -1,-0.2 -2,-0.7 -18,-0.1 0.525 87.5 48.9 -68.7 -6.7 6.3 0.2 21.0 70 82 A N T 34 S+ 0 0 12 -20,-0.4 -1,-0.2 -23,-0.1 -22,-0.1 0.748 126.4 19.9-103.4 -26.4 6.3 3.0 18.4 71 83 A S T <4 S- 0 0 13 -3,-0.6 -2,-0.2 2,-0.1 113,-0.2 0.615 93.6-128.9-111.6 -26.0 6.9 6.1 20.4 72 84 A G < + 0 0 15 -4,-2.8 -3,-0.1 1,-0.3 110,-0.1 0.566 50.0 160.2 83.3 9.0 8.5 4.4 23.5 73 85 A L - 0 0 4 108,-0.3 -5,-2.4 -5,-0.3 2,-0.4 -0.414 27.6-149.8 -59.7 137.4 6.1 6.3 25.7 74 86 A I E -C 67 0A 0 -7,-0.2 2,-0.5 92,-0.2 -7,-0.2 -0.964 17.6-171.4-128.2 131.9 5.9 4.5 28.9 75 87 A Y E +C 66 0A 7 -9,-2.7 -9,-3.0 -2,-0.4 2,-0.4 -0.976 15.0 169.2-125.1 116.3 3.0 4.2 31.4 76 88 A A E +C 65 0A 3 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.963 8.9 179.1-131.7 143.5 3.6 2.6 34.7 77 89 A E E -C 64 0A 18 -13,-1.8 -13,-2.5 -2,-0.4 2,-0.6 -0.984 35.7-106.3-139.8 151.1 1.5 2.3 37.9 78 90 A R E -C 63 0A 73 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.2 -0.679 39.8-160.7 -80.3 121.6 2.1 0.7 41.2 79 91 A V E -C 62 0A 2 -17,-1.9 -17,-0.6 -2,-0.6 3,-0.1 -0.548 23.3-137.6 -96.2 160.5 -0.0 -2.4 41.5 80 92 A K S S- 0 0 151 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.876 83.7 -22.7 -78.8 -43.9 -1.1 -4.4 44.7 81 93 A G - 0 0 15 2,-0.1 2,-0.5 -20,-0.0 -1,-0.4 -0.984 65.1 -99.0-162.0 164.5 -0.4 -7.7 43.1 82 94 A E + 0 0 80 -2,-0.3 28,-0.5 -3,-0.1 2,-0.1 -0.004 69.6 142.0 -80.4 31.8 -0.2 -9.5 39.7 83 95 A T > - 0 0 74 -2,-0.5 4,-2.3 1,-0.1 -2,-0.1 -0.363 58.6-128.1 -70.1 152.0 -3.8 -10.8 40.0 84 96 A G H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.726 107.8 57.2 -76.2 -21.7 -5.8 -10.8 36.8 85 97 A Q H > S+ 0 0 108 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.854 108.9 44.7 -75.8 -39.7 -8.7 -8.9 38.4 86 98 A E H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.929 112.1 53.7 -66.5 -49.0 -6.4 -6.0 39.3 87 99 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.911 104.1 55.2 -51.9 -48.3 -4.9 -6.1 35.9 88 100 A R H X S+ 0 0 16 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.880 110.5 45.5 -53.9 -40.5 -8.3 -5.8 34.3 89 101 A V H >X S+ 0 0 24 -4,-1.2 4,-1.7 -3,-0.3 3,-0.6 0.945 111.8 51.9 -68.9 -46.3 -9.0 -2.6 36.3 90 102 A Q H 3X S+ 0 0 11 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.877 105.2 56.8 -53.3 -39.3 -5.6 -1.3 35.4 91 103 A T H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.829 103.6 53.5 -69.0 -28.0 -6.3 -2.0 31.7 92 104 A M H - 0 0 11 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.044 55.2-112.4 -50.5 156.0 1.3 -14.7 32.3 109 121 A P H > S+ 0 0 111 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.947 114.5 47.9 -61.2 -54.9 -1.8 -15.6 34.3 110 122 A A H 4 S+ 0 0 3 -28,-0.5 6,-0.1 1,-0.2 -27,-0.1 0.856 116.1 46.8 -52.8 -37.3 -3.4 -12.1 34.5 111 123 A F H 4 S+ 0 0 5 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.832 116.8 39.7 -78.3 -34.4 -2.9 -11.7 30.8 112 124 A V H < S+ 0 0 55 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.683 84.1 124.8 -91.1 -21.9 -4.2 -15.0 29.6 113 125 A A X - 0 0 29 -4,-2.4 4,-2.4 -5,-0.2 5,-0.1 0.071 68.4-124.3 -36.0 146.6 -7.2 -15.3 32.0 114 126 A E H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.913 110.7 50.9 -68.4 -39.3 -10.5 -15.8 30.2 115 127 A S H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 1189,-0.3 0.874 112.0 47.5 -63.8 -39.1 -12.0 -12.7 31.8 116 128 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 108.7 54.2 -67.7 -45.3 -9.1 -10.6 30.8 117 129 A Q H X S+ 0 0 117 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.795 110.2 47.8 -58.8 -32.5 -9.2 -12.0 27.2 118 130 A L H X S+ 0 0 48 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.831 106.8 55.2 -76.3 -38.3 -12.9 -11.0 27.0 119 131 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.871 105.3 54.6 -61.7 -38.6 -12.3 -7.4 28.4 120 132 A M H X>S+ 0 0 3 -4,-2.0 5,-2.8 2,-0.2 4,-0.6 0.889 110.1 45.5 -63.8 -38.9 -9.8 -7.0 25.6 121 133 A K H ><5S+ 0 0 94 -4,-1.0 3,-1.2 3,-0.2 -2,-0.2 0.945 109.7 55.2 -66.7 -46.4 -12.5 -8.0 23.0 122 134 A Y H 3<5S+ 0 0 118 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.880 112.2 43.3 -52.8 -39.7 -15.0 -5.7 24.7 123 135 A L H 3<5S- 0 0 14 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.570 117.0-113.3 -86.1 -10.0 -12.6 -2.7 24.3 124 136 A G T <<5 + 0 0 55 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.2 0.921 63.7 147.4 76.9 48.7 -11.7 -3.6 20.8 125 137 A I < - 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0 0 4 -3,-0.9 6,-0.1 -4,-0.5 -1,-0.1 -0.972 61.1-155.4-128.6 131.3 9.8 12.0 47.1 156 172 A N S S+ 0 0 73 -2,-0.4 2,-0.3 1065,-0.1 -1,-0.2 0.946 86.5 52.7 -61.5 -53.2 7.9 11.1 50.2 157 173 A A S > S- 0 0 22 1,-0.1 4,-1.3 2,-0.0 1069,-0.1 -0.621 72.0-145.4 -87.6 144.7 5.5 8.9 48.4 158 174 A F H > S+ 0 0 19 -2,-0.3 4,-2.5 2,-0.2 3,-0.3 0.926 102.9 59.3 -66.6 -44.9 6.6 6.0 46.1 159 175 A E H > S+ 0 0 60 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.857 106.9 46.6 -52.9 -39.5 3.6 6.7 43.8 160 176 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.824 108.2 54.2 -78.1 -27.0 4.9 10.2 43.3 161 177 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.877 109.6 49.6 -67.7 -35.2 8.5 9.1 42.6 162 178 A L H X S+ 0 0 5 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.919 110.6 48.8 -68.7 -42.3 7.1 6.7 39.9 163 179 A A H X S+ 0 0 5 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.944 109.5 54.0 -57.6 -49.6 5.1 9.6 38.4 164 180 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.876 106.5 50.2 -53.5 -44.1 8.2 11.7 38.5 165 181 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.855 106.3 55.5 -68.8 -32.3 10.2 9.1 36.6 166 182 A L H X S+ 0 0 6 -4,-1.9 4,-1.5 1,-0.2 5,-0.4 0.853 107.8 52.3 -60.6 -35.8 7.4 9.0 33.9 167 183 A I H X>S+ 0 0 0 -4,-1.7 5,-2.9 3,-0.2 4,-2.1 0.926 111.6 43.8 -65.0 -46.0 7.9 12.8 33.6 168 184 A T H <>S+ 0 0 5 -4,-2.0 5,-1.2 1,-0.2 -2,-0.2 0.881 122.2 37.5 -73.0 -33.8 11.7 12.4 33.1 169 185 A L H <5S+ 0 0 7 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.664 128.0 33.2 -87.5 -21.9 11.4 9.5 30.6 170 186 A N H <5S+ 0 0 7 -4,-1.5 12,-2.1 -5,-0.3 13,-0.4 0.823 136.4 9.4-102.5 -37.4 8.3 10.7 28.8 171 187 A I T <5S+ 0 0 19 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.758 127.3 46.2-114.6 -46.0 8.4 14.5 28.8 172 188 A K T > +E 179 0B 30 4,-2.0 3,-2.7 -2,-0.3 4,-1.6 -0.689 49.0 36.8-146.3-166.1 16.2 13.0 21.4 176 192 A G T 34 S- 0 0 56 1,-0.3 -2,-0.1 -2,-0.2 900,-0.0 -0.283 131.7 -19.5 48.6-124.4 16.2 13.3 17.7 177 193 A L T 34 S- 0 0 92 899,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.230 123.9 -58.9 -99.3 11.1 15.7 17.0 16.8 178 194 A G T <4 S+ 0 0 21 -3,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.537 96.4 133.4 121.8 20.4 14.3 17.9 20.2 179 195 A T B < -E 175 0B 40 -4,-1.6 -4,-2.0 4,-0.0 -1,-0.3 -0.835 39.8-149.6-103.6 141.0 11.3 15.6 20.4 180 196 A S > - 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0 0 63 -4,-3.1 -4,-0.1 -5,-0.3 -3,-0.1 0.897 34.4-177.1 63.6 55.8 -8.5 44.6 20.5 211 17 B Q - 0 0 34 1,-0.2 -1,-0.1 -6,-0.1 -2,-0.0 -0.244 30.8 -83.3 -79.2 162.8 -9.1 41.0 21.3 212 18 B D > - 0 0 44 1,-0.1 4,-1.7 -2,-0.0 -1,-0.2 -0.019 36.0-116.1 -43.1 161.7 -7.2 38.4 23.4 213 19 B A H > S+ 0 0 13 38,-0.2 4,-1.6 2,-0.2 15,-0.1 0.772 123.0 52.2 -67.5 -29.8 -4.3 36.6 21.7 214 20 B V H > S+ 0 0 3 37,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.844 107.2 49.5 -77.3 -34.6 -6.5 33.6 22.4 215 21 B S H > S+ 0 0 37 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.916 109.6 51.7 -70.6 -42.1 -9.5 35.2 20.7 216 22 B L H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 6,-0.7 0.902 112.6 47.3 -56.9 -42.3 -7.4 36.1 17.7 217 23 B H H X S+ 0 0 32 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.954 113.0 46.6 -63.7 -50.1 -6.3 32.5 17.5 218 24 B L H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.665 118.4 40.6 -73.0 -17.4 -9.7 31.0 17.9 219 25 B E H < S+ 0 0 134 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.860 126.9 25.0-100.9 -39.9 -11.4 33.2 15.4 220 26 B F H < S- 0 0 27 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.304 97.5-126.7-105.3 3.1 -9.0 33.6 12.4 221 27 B G < + 0 0 62 -4,-1.2 -4,-0.2 -5,-0.2 -3,-0.1 0.710 53.2 156.5 57.9 26.3 -7.2 30.3 13.1 222 28 B I - 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0 0 75 -2,-0.6 4,-2.0 1,-0.1 -2,-0.1 -0.397 59.0-127.8 -72.1 152.6 -6.1 16.1 52.0 290 96 B G H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.674 107.5 58.0 -76.9 -17.3 -3.4 18.3 50.5 291 97 B Q H > S+ 0 0 105 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.878 108.5 44.1 -79.2 -41.2 -0.8 15.5 50.7 292 98 B E H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.928 112.5 53.8 -63.9 -48.8 -2.9 13.2 48.6 293 99 B F H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.919 103.4 55.9 -52.1 -50.8 -3.6 16.0 46.2 294 100 B R H X S+ 0 0 14 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.885 110.3 45.2 -49.8 -41.7 0.1 16.7 45.8 295 101 B V H >X S+ 0 0 22 -4,-1.2 4,-1.8 -3,-0.3 3,-0.8 0.951 112.0 51.8 -68.6 -47.4 0.6 13.0 44.7 296 102 B Q H 3X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.880 104.8 57.5 -54.1 -37.1 -2.4 13.1 42.5 297 103 B T H 3X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.833 103.6 53.2 -68.3 -28.4 -0.9 16.3 40.9 298 104 B M H - 0 0 9 22,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.000 54.3-113.0 -49.1 156.6 -9.7 24.9 49.1 315 121 B P H > S+ 0 0 114 0, 0.0 4,-2.5 0, 0.0 3,-0.1 0.954 114.5 48.5 -61.7 -52.5 -7.2 23.7 51.7 316 122 B A H 4 S+ 0 0 3 -28,-0.4 6,-0.1 1,-0.2 -27,-0.1 0.861 116.3 45.7 -57.5 -35.8 -5.4 21.1 49.6 317 123 B F H 4 S+ 0 0 4 1,-0.2 -1,-0.2 -5,-0.1 -3,-0.1 0.831 117.0 40.4 -78.4 -35.9 -5.0 23.7 46.8 318 124 B V H < S+ 0 0 55 -4,-2.1 -2,-0.2 -3,-0.1 5,-0.2 0.734 84.3 124.6 -86.9 -25.0 -3.8 26.7 48.9 319 125 B A X - 0 0 29 -4,-2.5 4,-2.2 -5,-0.2 5,-0.1 0.116 68.4-125.1 -33.7 144.9 -1.5 24.7 51.2 320 126 B E H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.896 110.3 51.5 -69.4 -37.1 2.1 26.0 51.2 321 127 B S H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 907,-0.4 0.892 111.5 47.1 -64.4 -41.1 3.5 22.6 50.3 322 128 B T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 108.9 54.4 -66.3 -42.1 1.1 22.3 47.3 323 129 B Q H X S+ 0 0 115 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.824 109.4 48.7 -61.8 -34.5 1.9 25.9 46.2 324 130 B L H X S+ 0 0 37 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.841 106.7 55.5 -73.5 -37.7 5.6 25.0 46.1 325 131 B L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.869 104.8 53.8 -62.8 -37.8 5.1 21.8 44.2 326 132 B M H X>S+ 0 0 3 -4,-1.8 5,-2.9 2,-0.2 4,-0.6 0.885 110.2 46.4 -66.9 -36.6 3.3 23.8 41.5 327 133 B K H ><5S+ 0 0 93 -4,-1.1 3,-1.0 3,-0.2 -2,-0.2 0.939 109.5 54.5 -65.9 -47.0 6.4 26.1 41.3 328 134 B Y H 3<5S+ 0 0 29 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.887 112.7 43.3 -53.4 -40.8 8.7 23.1 41.1 329 135 B L H 3<5S- 0 0 3 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.576 116.8-113.7 -85.7 -9.9 6.8 21.7 38.2 330 136 B G T <<5 + 0 0 55 -3,-1.0 2,-0.4 -4,-0.6 -3,-0.2 0.895 63.5 146.7 80.0 44.4 6.5 25.0 36.4 331 137 B I < - 0 0 11 -5,-2.9 2,-1.3 -6,-0.1 -23,-0.3 -0.940 48.8-136.5-119.9 129.7 2.7 25.5 36.7 332 138 B E E -i 308 0C 139 -25,-1.8 -23,-2.7 -2,-0.4 2,-0.8 -0.699 30.2-177.4 -84.2 95.4 0.9 28.8 37.1 333 139 B H E -i 309 0C 34 -2,-1.3 2,-0.3 -25,-0.2 -23,-0.2 -0.839 3.6-171.7 -97.8 107.4 -1.7 27.8 39.7 334 140 B T E -i 310 0C 57 -25,-2.5 -23,-1.0 -2,-0.8 2,-0.4 -0.793 6.6-156.4 -96.2 144.0 -4.1 30.7 40.5 335 141 B T E +i 311 0C 62 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.2 -0.905 29.8 107.7-117.6 145.1 -6.5 30.3 43.4 336 142 B G S S- 0 0 25 -25,-2.2 -22,-0.1 -2,-0.4 -25,-0.1 -0.803 70.3 -54.5 162.1 163.3 -9.8 32.1 44.0 337 143 B I S S- 0 0 84 -2,-0.2 -25,-0.1 -25,-0.1 -2,-0.0 -0.388 70.3-120.4 -55.1 101.3 -13.6 32.5 44.3 338 144 B P + 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.225 49.4 157.5 -55.4 125.9 -14.4 31.2 40.7 339 145 B W + 0 0 132 -3,-0.0 -2,-0.1 -2,-0.0 -91,-0.0 0.594 27.9 114.4-125.8 -18.8 -16.1 33.9 38.6 340 146 B N > - 0 0 16 1,-0.2 4,-2.8 2,-0.0 5,-0.4 -0.430 46.9-160.4 -70.7 107.8 -15.5 33.1 34.9 341 147 B P T 4 S+ 0 0 89 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.609 90.8 55.0 -64.4 -3.8 -18.8 32.2 33.3 342 148 B Q T > S+ 0 0 146 2,-0.1 4,-1.1 3,-0.1 5,-0.1 0.906 115.7 32.6 -90.0 -48.7 -16.8 30.5 30.5 343 149 B S H > S+ 0 0 9 2,-0.2 4,-3.3 1,-0.2 3,-0.4 0.934 119.8 53.5 -67.5 -48.3 -14.8 28.1 32.6 344 150 B Q H X S+ 0 0 48 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.823 104.8 55.2 -58.9 -37.6 -17.5 27.7 35.2 345 151 B A H > S+ 0 0 58 -5,-0.4 4,-2.3 -4,-0.4 -1,-0.3 0.925 113.7 39.5 -61.7 -45.2 -20.0 26.8 32.6 346 152 B L H X S+ 0 0 55 -4,-1.1 4,-2.5 -3,-0.4 -2,-0.2 0.914 116.6 50.5 -75.7 -45.2 -17.8 24.0 31.3 347 153 B V H X S+ 0 0 2 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.859 112.3 47.9 -56.6 -41.2 -16.7 22.9 34.7 348 154 B E H X S+ 0 0 116 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.957 114.4 43.4 -68.6 -52.0 -20.3 22.8 35.9 349 155 B R H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.832 111.8 58.2 -62.2 -34.4 -21.7 20.8 32.9 350 156 B T H X S+ 0 0 9 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.942 104.8 47.1 -63.8 -46.9 -18.7 18.6 33.2 351 157 B H H X S+ 0 0 16 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.874 114.1 48.6 -62.1 -37.3 -19.3 17.6 36.9 352 158 B Q H X S+ 0 0 146 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.928 111.9 48.0 -69.4 -44.9 -23.0 16.8 36.1 353 159 B T H X S+ 0 0 43 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.810 109.6 54.6 -64.5 -31.9 -22.1 14.7 33.0 354 160 B L H X S+ 0 0 1 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.968 113.2 40.5 -64.2 -55.7 -19.5 12.8 35.0 355 161 B K H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.925 115.4 52.5 -56.7 -48.4 -22.0 11.8 37.7 356 162 B N H X S+ 0 0 92 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.928 112.5 42.8 -58.4 -47.1 -24.8 11.1 35.1 357 163 B T H X S+ 0 0 11 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.746 109.4 59.3 -75.7 -18.6 -22.7 8.8 33.0 358 164 B L H X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 3,-0.4 0.941 102.0 54.3 -62.1 -50.8 -21.3 7.1 36.2 359 165 B E H < S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.821 109.8 48.5 -51.4 -33.4 -24.9 6.3 37.1 360 166 B K H < S+ 0 0 126 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 121.4 32.5 -77.0 -34.6 -25.2 4.6 33.7 361 167 B L H >< S+ 0 0 27 -4,-1.4 3,-3.1 -3,-0.4 4,-0.5 0.835 94.5 76.7 -96.6 -38.6 -21.9 2.6 34.0 362 168 B I G >< S+ 0 0 36 -4,-3.0 3,-0.8 1,-0.3 -1,-0.1 0.762 91.8 61.2 -58.6 -25.3 -21.2 1.6 37.6 363 169 B P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 104.1 50.2 -64.9 -22.0 -23.9 -1.2 37.3 364 170 B M G < S+ 0 0 71 -3,-3.1 937,-2.5 936,-0.1 938,-0.5 0.453 104.7 69.8 -94.4 -3.7 -21.8 -2.8 34.5 365 171 B F < - 0 0 8 -3,-0.8 6,-0.1 -4,-0.5 -1,-0.1 -0.963 61.0-156.0-126.2 130.8 -18.5 -2.7 36.4 366 172 B N S S+ 0 0 65 -2,-0.4 2,-0.3 931,-0.1 -1,-0.2 0.960 86.6 52.1 -61.0 -55.3 -17.4 -4.7 39.4 367 173 B A S > S- 0 0 21 1,-0.1 4,-1.3 935,-0.0 5,-0.1 -0.640 72.8-144.9 -85.0 141.2 -14.8 -2.1 40.5 368 174 B F H > S+ 0 0 17 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.925 102.6 60.2 -65.0 -43.3 -15.8 1.6 41.0 369 175 B E H > S+ 0 0 60 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.846 106.2 46.4 -54.1 -37.3 -12.3 2.5 39.7 370 176 B S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.772 108.5 53.9 -81.0 -24.4 -13.1 0.8 36.5 371 177 B A H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.876 109.5 50.0 -70.1 -35.7 -16.6 2.4 36.1 372 178 B L H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.924 110.9 48.7 -67.0 -43.0 -14.8 5.8 36.5 373 179 B A H X S+ 0 0 6 -4,-1.8 4,-1.7 -5,-0.2 3,-0.2 0.948 109.3 53.9 -57.2 -50.8 -12.3 4.8 33.8 374 180 B G H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.873 106.6 50.3 -51.4 -44.2 -15.1 3.7 31.6 375 181 B T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.856 106.3 55.2 -70.0 -31.9 -16.9 7.1 32.0 376 182 B L H X S+ 0 0 7 -4,-1.9 4,-1.5 -3,-0.2 5,-0.4 0.832 108.1 52.2 -62.3 -33.8 -13.6 8.8 31.0 377 183 B I H X>S+ 0 0 11 -4,-1.7 5,-3.0 3,-0.2 4,-1.9 0.921 112.0 42.9 -65.8 -46.3 -13.7 6.7 27.9 378 184 B T H <>S+ 0 0 46 -4,-2.1 5,-0.9 3,-0.2 -2,-0.2 0.888 122.1 38.9 -74.0 -31.5 -17.2 7.7 26.9 379 185 B L H <5S+ 0 0 6 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.720 127.5 32.2 -88.8 -22.9 -16.8 11.4 27.7 380 186 B N H <5S+ 0 0 9 -4,-1.5 12,-2.4 -5,-0.2 13,-0.4 0.816 136.4 10.4-101.0 -36.9 -13.2 11.7 26.4 381 187 B I T <5S+ 0 0 17 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.771 126.5 46.7-114.0 -48.6 -12.9 9.2 23.5 382 188 B K T +J 389 0D 48 4,-1.3 4,-1.1 -2,-0.3 2,-0.6 -0.926 53.1 26.2-162.7 144.2 -19.4 16.4 18.0 386 192 B G T 4 S- 0 0 82 -2,-0.3 -2,-0.1 1,-0.2 4,-0.0 -0.927 132.7 -10.7 108.2-126.6 -18.7 18.6 15.0 387 193 B L T 4 S- 0 0 187 -2,-0.6 -1,-0.2 0, 0.0 -3,-0.0 0.342 128.4 -67.8 -91.1 6.4 -17.1 16.9 12.0 388 194 B G T 4 S+ 0 0 39 1,-0.2 2,-0.5 -3,-0.1 -2,-0.2 0.783 84.3 156.1 107.4 55.8 -16.6 14.1 14.5 389 195 B T B < -J 385 0D 42 -4,-1.1 -4,-1.3 4,-0.0 -1,-0.2 -0.960 24.9-157.7-113.2 123.4 -14.1 15.4 17.1 390 196 B S > - 0 0 4 -2,-0.5 4,-1.9 -6,-0.2 -6,-0.2 -0.402 36.6-103.8 -79.0 167.4 -13.9 14.0 20.6 391 197 B P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 -112,-0.3 0.893 124.4 52.7 -63.8 -35.8 -12.3 16.0 23.5 392 198 B M H > S+ 0 0 17 -12,-2.4 4,-2.5 2,-0.2 5,-0.3 0.860 104.6 56.1 -66.8 -32.8 -9.2 13.9 23.3 393 199 B D H > S+ 0 0 36 -13,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.956 111.6 43.6 -58.4 -49.7 -9.0 14.7 19.5 394 200 B I H X S+ 0 0 53 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.879 112.8 51.2 -62.3 -46.9 -9.0 18.4 20.3 395 201 B F H X S+ 0 0 14 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.954 113.7 43.2 -57.5 -54.7 -6.5 18.0 23.2 396 202 B I H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.886 112.0 54.8 -56.4 -45.4 -4.0 16.1 21.1 397 203 B F H X S+ 0 0 79 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.930 109.8 46.5 -54.0 -50.7 -4.5 18.4 18.1 398 204 B N H X S+ 0 0 9 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.843 110.1 53.5 -58.6 -38.7 -3.7 21.5 20.3 399 205 B K H X S+ 0 0 24 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.903 111.6 46.1 -65.4 -39.6 -0.6 19.7 21.8 400 206 B E H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.884 108.3 53.2 -72.3 -41.0 0.7 19.0 18.3 401 207 B Q H X S+ 0 0 44 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.876 106.6 55.7 -63.5 -34.9 0.1 22.5 16.9 402 208 B Q H < S+ 0 0 56 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.906 106.5 49.4 -60.7 -43.4 2.1 23.8 19.8 403 209 B R H >< S+ 0 0 79 -4,-1.3 3,-1.1 1,-0.2 -2,-0.2 0.923 109.2 51.5 -65.4 -46.3 5.1 21.6 19.0 404 210 B I H 3< S+ 0 0 65 -4,-2.3 2,-1.0 1,-0.3 -1,-0.2 0.931 107.8 54.1 -49.9 -48.7 5.0 22.8 15.4 405 211 B Q T 3< 0 0 33 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.174 360.0 360.0 -84.7 44.6 4.9 26.4 16.6 406 212 B Q < 0 0 117 -3,-1.1 -3,-0.1 -2,-1.0 -4,-0.0 -0.687 360.0 360.0-164.2 360.0 8.1 25.9 18.7 407 !* 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 0.0 408 4 C N > 0 0 124 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -1.0 67.0 0.2 10.6 409 5 C I H > + 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.868 360.0 51.7 -60.7 -39.0 64.0 0.7 12.8 410 6 C P H > S+ 0 0 82 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.826 111.3 49.2 -72.7 -27.7 64.3 -2.7 14.7 411 7 C L H > S+ 0 0 70 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.946 109.8 50.3 -67.8 -53.1 67.9 -1.9 15.4 412 8 C A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -3,-0.1 0.902 111.3 49.5 -50.2 -45.0 67.1 1.5 16.7 413 9 C E H X S+ 0 0 84 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.852 112.0 48.1 -65.3 -35.5 64.4 0.1 19.0 414 10 C E H X S+ 0 0 126 -4,-1.2 4,-0.5 -3,-0.3 -2,-0.2 0.932 114.3 44.7 -69.8 -47.6 66.8 -2.6 20.3 415 11 C E H X S+ 0 0 49 -4,-2.8 4,-1.6 1,-0.2 5,-0.3 0.728 109.2 58.0 -71.4 -26.6 69.6 -0.1 21.0 416 12 C H H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.952 97.9 59.1 -66.3 -46.8 67.1 2.3 22.6 417 13 C N H < S+ 0 0 97 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.729 110.3 46.6 -54.8 -19.8 66.1 -0.4 25.1 418 14 C K H < S+ 0 0 117 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.897 132.1 9.9 -83.8 -46.3 69.7 -0.4 26.2 419 15 C W H < S- 0 0 177 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.605 84.7-135.4-118.5 -23.7 70.5 3.4 26.4 420 16 C H < - 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0 0 5 -2,-0.3 4,-2.2 -6,-0.2 5,-0.2 -0.587 35.6-100.5-105.0 165.0 48.9 34.6 18.9 790 197 D P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -109,-0.3 0.918 127.9 51.4 -53.1 -37.8 51.0 36.6 16.4 791 198 D M H > S+ 0 0 17 -12,-2.3 4,-2.6 2,-0.2 5,-0.3 0.876 104.9 55.5 -65.5 -36.4 53.7 36.6 19.1 792 199 D D H > S+ 0 0 35 -13,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.956 111.8 44.0 -54.6 -49.9 53.4 32.8 19.4 793 200 D I H X S+ 0 0 39 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 112.4 52.2 -62.8 -46.6 54.0 32.4 15.7 794 201 D F H X S+ 0 0 14 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.954 113.8 42.0 -57.6 -54.9 56.8 34.9 15.7 795 202 D I H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.874 111.8 55.2 -56.9 -44.1 58.7 33.2 18.5 796 203 D F H X S+ 0 0 12 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.929 109.6 47.2 -56.8 -48.5 58.0 29.7 17.1 797 204 D N H X S+ 0 0 42 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.837 110.3 52.1 -59.0 -40.5 59.6 30.8 13.7 798 205 D K H X S+ 0 0 24 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.880 112.0 47.4 -64.8 -39.3 62.6 32.3 15.5 799 206 D E H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 108.4 52.0 -72.0 -43.5 63.1 29.0 17.4 800 207 D Q H X S+ 0 0 56 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.868 106.9 56.4 -62.6 -36.1 62.8 26.7 14.4 801 208 D Q H < S+ 0 0 90 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.927 106.1 48.8 -57.5 -47.6 65.4 28.8 12.6 802 209 D R H >< S+ 0 0 84 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.939 109.4 52.2 -60.3 -45.9 67.9 28.3 15.5 803 210 D I H 3< S+ 0 0 96 -4,-2.2 2,-0.7 1,-0.3 -1,-0.2 0.903 107.4 54.8 -55.3 -41.6 67.2 24.5 15.4 804 211 D Q T 3< 0 0 88 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.235 360.0 360.0 -87.0 45.9 67.9 24.7 11.6 805 212 D Q < 0 0 126 -3,-1.1 -3,-0.1 -2,-0.7 -4,-0.0 -0.736 360.0 360.0-166.6 360.0 71.4 26.3 12.1 806 !* 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 0.0 807 2 E V > 0 0 54 0, 0.0 3,-0.8 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -67.8 33.1 26.4 30.7 808 3 E E T 3 + 0 0 100 1,-0.2 4,-0.1 2,-0.1 25,-0.1 0.094 360.0 81.7 -78.5 22.7 33.1 27.9 34.3 809 4 E N T 3> + 0 0 64 22,-0.1 4,-2.5 1,-0.1 -1,-0.2 0.326 51.2 102.5-117.6 1.1 35.3 30.6 32.7 810 5 E I H <> S+ 0 0 41 -3,-0.8 4,-2.2 1,-0.2 5,-0.2 0.879 81.6 51.3 -58.3 -41.0 32.8 32.9 31.1 811 6 E P H > S+ 0 0 82 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.849 111.3 49.6 -72.3 -29.7 32.9 35.6 33.8 812 7 E L H > S+ 0 0 71 -3,-0.2 4,-2.7 2,-0.2 3,-0.4 0.965 109.6 50.0 -64.0 -55.7 36.7 35.7 33.6 813 8 E A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.890 110.9 50.6 -50.2 -41.8 36.6 36.0 29.8 814 9 E E H X S+ 0 0 88 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.879 111.7 47.5 -65.7 -37.7 34.2 38.9 30.1 815 10 E E H < S+ 0 0 126 -4,-1.4 4,-0.5 -3,-0.4 -2,-0.2 0.914 114.1 45.3 -68.3 -47.4 36.4 40.7 32.6 816 11 E E H X S+ 0 0 30 -4,-2.7 4,-1.6 1,-0.2 5,-0.3 0.728 109.0 58.3 -72.1 -26.0 39.5 40.2 30.6 817 12 E H H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 3,-0.3 0.959 97.5 58.8 -67.3 -49.0 37.7 41.3 27.5 818 13 E N H < S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.716 110.6 46.4 -52.7 -19.0 36.8 44.6 29.1 819 14 E K H 4 S+ 0 0 34 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.886 132.2 10.6 -85.5 -44.1 40.5 45.2 29.4 820 15 E W H < S- 0 0 2 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.2 0.653 84.3-136.4-118.3 -28.1 41.8 44.2 26.0 821 16 E H < - 0 0 10 -4,-2.9 -4,-0.1 -5,-0.3 -3,-0.1 0.918 34.8-178.5 65.6 55.9 38.8 43.8 23.7 822 17 E Q - 0 0 9 1,-0.2 -1,-0.1 -6,-0.1 -40,-0.1 -0.215 31.3 -80.1 -79.2 166.0 39.6 40.6 21.8 823 18 E D > - 0 0 84 1,-0.1 4,-1.6 -40,-0.1 -1,-0.2 -0.021 35.1-118.0 -44.0 161.2 37.8 38.6 19.1 824 19 E A H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.1 -1,-0.1 0.822 122.9 51.3 -67.9 -34.7 35.0 36.4 20.0 825 20 E V H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.857 107.6 50.0 -71.2 -36.4 37.4 33.8 18.5 826 21 E S H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.914 109.3 51.3 -69.2 -41.6 40.2 34.9 20.7 827 22 E L H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 6,-0.6 0.897 112.7 47.7 -59.3 -41.0 38.0 34.8 23.8 828 23 E H H X S+ 0 0 36 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.926 113.0 46.6 -63.2 -48.6 37.0 31.2 22.8 829 24 E L H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.699 118.2 40.9 -74.8 -18.4 40.6 30.0 22.2 830 25 E E H < S+ 0 0 68 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.864 126.6 25.0 -99.9 -38.5 42.0 31.5 25.3 831 26 E F H < S- 0 0 25 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.1 0.309 97.1-126.3-106.9 5.1 39.5 30.8 28.1 832 27 E G < + 0 0 51 -4,-1.0 -4,-0.2 -5,-0.2 -3,-0.1 0.764 53.6 155.0 53.3 29.2 37.9 27.8 26.5 833 28 E I - 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