==== 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 PROTEIN TRANSPORT 01-FEB-09 3G2U . COMPND 2 MOLECULE: ADP-RIBOSYLATION FACTOR-BINDING PROTEIN GGA1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.F.CRAMER,M.A.BEHRENS,C.GUSTAFSEN,C.L.P.OLIVEIRA, . 294 4 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 72.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 1 1 2 0 0 2 2 4 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 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 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 7 A P 0 0 139 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.6 9.5 13.2 0.4 2 8 A E - 0 0 82 1,-0.1 0, 0.0 24,-0.1 0, 0.0 -0.705 360.0-113.2 -83.1 142.7 10.6 11.0 -2.6 3 9 A T > - 0 0 77 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.206 23.6-109.7 -71.8 158.4 7.9 9.1 -4.5 4 10 A L H > S+ 0 0 3 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.898 120.2 52.9 -50.8 -41.6 7.6 5.4 -4.6 5 11 A E H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 110.0 45.8 -60.3 -50.3 8.7 5.4 -8.2 6 12 A A H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 116.3 47.8 -64.6 -41.2 11.9 7.5 -7.5 7 13 A R H X S+ 0 0 30 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.944 114.1 43.6 -58.1 -60.1 12.6 5.2 -4.6 8 14 A I H X S+ 0 0 0 -4,-3.4 4,-1.1 1,-0.2 -2,-0.2 0.873 110.9 55.7 -61.0 -38.1 12.0 1.9 -6.4 9 15 A N H < S+ 0 0 29 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.866 113.9 39.8 -62.0 -42.7 14.0 3.1 -9.5 10 16 A R H >< S+ 0 0 88 -4,-1.7 3,-0.5 2,-0.2 -2,-0.2 0.871 114.3 54.2 -65.4 -44.7 17.1 3.9 -7.3 11 17 A A H 3< S+ 0 0 0 -4,-2.6 9,-0.3 1,-0.2 -2,-0.2 0.612 120.6 30.3 -68.8 -18.7 16.6 0.8 -5.2 12 18 A T T 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.253 79.9 145.5-125.6 5.2 16.6 -1.6 -8.2 13 19 A N X - 0 0 50 -3,-0.5 3,-2.0 -4,-0.3 -3,-0.1 -0.235 49.0-140.6 -44.9 119.8 18.8 0.3 -10.6 14 20 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.659 99.6 69.0 -63.5 -4.7 20.8 -2.2 -12.6 15 21 A L T 3 S+ 0 0 136 40,-0.0 -2,-0.1 132,-0.0 2,-0.0 0.627 71.8 119.1 -85.6 -8.7 23.7 0.1 -12.3 16 22 A N < - 0 0 36 -3,-2.0 3,-0.1 1,-0.2 4,-0.0 -0.288 48.5-164.2 -64.0 128.3 24.0 -0.5 -8.5 17 23 A K S S+ 0 0 201 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.597 78.8 4.4 -79.6 -22.8 27.4 -2.0 -7.5 18 24 A E S S- 0 0 153 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.955 100.6 -65.4-152.5 170.5 25.8 -3.0 -4.1 19 25 A L - 0 0 54 -2,-0.3 2,-0.8 -3,-0.1 -7,-0.1 -0.369 41.9-142.3 -66.5 139.4 22.5 -3.0 -2.3 20 26 A D > + 0 0 43 -9,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.847 21.8 177.6-109.8 85.8 21.2 0.6 -1.7 21 27 A W H >>S+ 0 0 122 -2,-0.8 4,-3.0 2,-0.2 5,-0.5 0.827 77.0 61.5 -68.0 -35.0 19.6 0.4 1.8 22 28 A A H >5S+ 0 0 74 3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.970 114.5 36.7 -44.2 -53.0 18.7 4.1 1.9 23 29 A S H >5S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.902 119.2 47.8 -73.6 -42.5 16.5 3.5 -1.2 24 30 A I H X5S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -3,-0.2 0.943 119.4 38.0 -62.9 -54.7 15.3 0.1 -0.2 25 31 A N H X5S+ 0 0 74 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.872 113.9 56.8 -71.0 -29.9 14.3 1.0 3.3 26 32 A G H X< S- 0 0 60 -4,-1.9 3,-1.1 1,-0.1 0, 0.0 -0.509 74.7-136.5 -87.4 134.2 1.0 6.9 2.0 35 41 A F T 3 S+ 0 0 190 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.894 111.4 26.1 -42.8 -59.9 -2.7 6.1 2.0 36 42 A E T 3> S+ 0 0 151 1,-0.2 4,-1.3 2,-0.1 -1,-0.3 -0.023 94.1 114.8-100.4 25.2 -2.5 4.3 -1.4 37 43 A G H <> S+ 0 0 2 -3,-1.1 4,-2.5 -6,-0.3 5,-0.2 0.916 70.2 50.3 -47.9 -60.3 1.1 3.5 -0.8 38 44 A P H > S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.830 109.5 47.2 -62.7 -41.5 0.8 -0.3 -0.6 39 45 A P H > S+ 0 0 36 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.852 115.3 46.6 -68.8 -37.2 -1.2 -0.9 -3.8 40 46 A L H X S+ 0 0 40 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.922 111.0 52.7 -64.0 -45.4 1.1 1.3 -5.8 41 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.885 108.5 50.2 -56.8 -44.7 4.2 -0.4 -4.3 42 48 A T H X S+ 0 0 11 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.910 110.5 49.4 -65.6 -39.6 2.9 -3.8 -5.2 43 49 A R H X S+ 0 0 110 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.944 113.9 45.6 -63.7 -45.0 2.2 -2.7 -8.8 44 50 A L H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.889 113.0 51.1 -68.6 -38.3 5.8 -1.2 -9.2 45 51 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.913 104.7 55.1 -63.7 -48.7 7.4 -4.2 -7.6 46 52 A A H X S+ 0 0 11 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.920 109.5 48.0 -51.9 -47.8 5.7 -6.8 -9.9 47 53 A H H >< S+ 0 0 12 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.941 113.2 46.3 -61.2 -48.5 7.0 -5.0 -13.0 48 54 A K H >< S+ 0 0 6 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.853 109.8 55.0 -60.1 -40.3 10.6 -4.7 -11.7 49 55 A I H 3< S+ 0 0 3 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.739 104.5 54.6 -68.8 -24.2 10.5 -8.4 -10.6 50 56 A Q T << S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.298 82.1 131.2 -92.0 7.9 9.5 -9.4 -14.1 51 57 A S < - 0 0 11 -3,-1.4 6,-0.2 1,-0.1 134,-0.1 -0.401 59.9-141.1 -63.3 137.4 12.5 -7.6 -15.6 52 58 A P S S+ 0 0 30 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.519 88.8 87.7 -67.1 -17.7 14.7 -9.5 -18.1 53 59 A Q S > S- 0 0 18 1,-0.2 4,-1.8 -5,-0.1 3,-0.4 -0.861 73.9-155.4 -88.3 108.5 17.6 -7.8 -16.4 54 60 A E H > S+ 0 0 85 -2,-0.8 4,-3.4 1,-0.2 5,-0.2 0.806 87.0 52.7 -57.8 -37.9 18.4 -10.1 -13.6 55 61 A W H > S+ 0 0 81 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.880 109.6 49.8 -76.3 -31.9 20.0 -7.6 -11.2 56 62 A E H > S+ 0 0 7 -3,-0.4 4,-1.5 2,-0.2 -1,-0.3 0.884 114.7 44.9 -59.1 -51.8 17.0 -5.3 -11.4 57 63 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.940 113.5 49.7 -63.6 -40.5 14.7 -8.3 -10.7 58 64 A I H X S+ 0 0 16 -4,-3.4 4,-1.1 1,-0.3 -2,-0.2 0.889 111.5 48.1 -67.6 -42.2 16.9 -9.6 -7.8 59 65 A Q H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.836 109.1 54.6 -61.8 -40.7 17.1 -6.2 -6.2 60 66 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.856 106.6 50.3 -62.1 -43.5 13.3 -5.8 -6.5 61 67 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.728 106.9 55.6 -59.9 -34.4 12.8 -9.1 -4.7 62 68 A T H X S+ 0 0 20 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.842 108.9 47.4 -66.7 -40.3 15.2 -7.8 -2.0 63 69 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.928 112.1 49.7 -60.7 -53.6 12.9 -4.8 -1.6 64 70 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.956 113.6 45.9 -47.7 -58.2 9.8 -7.1 -1.5 65 71 A E H X S+ 0 0 37 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.903 112.3 51.4 -48.5 -52.7 11.5 -9.3 1.1 66 72 A T H X S+ 0 0 19 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.910 113.2 42.3 -55.2 -50.9 12.6 -6.3 3.2 67 73 A a H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.669 108.9 58.6 -74.3 -26.2 9.2 -4.6 3.4 68 74 A M H < S+ 0 0 5 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.919 111.7 42.8 -67.9 -39.4 7.3 -7.8 4.0 69 75 A K H < S+ 0 0 161 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.1 0.881 124.8 33.5 -67.5 -38.9 9.5 -8.2 7.1 70 76 A S H < S+ 0 0 75 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.789 116.4 35.8 -94.8 -32.5 9.2 -4.6 8.3 71 77 A b < + 0 0 20 -4,-2.0 -42,-0.1 -5,-0.1 -43,-0.0 -0.122 68.6 67.3 -89.6-172.2 5.8 -3.4 7.3 72 78 A G + 0 0 34 -2,-0.0 -40,-0.0 4,-0.0 -4,-0.0 0.539 21.1 144.9 112.5 132.0 2.3 -4.3 6.9 73 79 A K S > S+ 0 0 152 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.671 118.4 38.5-116.3 -33.5 -0.9 -5.3 7.5 74 80 A R H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.955 125.1 41.6 -56.3 -44.7 -1.9 -3.0 4.6 75 81 A F H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.920 112.6 52.8 -70.6 -49.2 1.2 -4.1 2.8 76 82 A H H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 110.7 49.7 -48.3 -39.0 0.9 -7.8 3.8 77 83 A D H < S+ 0 0 48 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.820 107.6 52.0 -73.5 -38.8 -2.7 -7.8 2.5 78 84 A E H >< S+ 0 0 26 -4,-1.6 3,-1.0 -5,-0.2 6,-0.3 0.908 113.1 45.2 -63.7 -39.3 -1.7 -6.2 -0.9 79 85 A V H 3< S+ 0 0 0 -4,-2.1 6,-0.3 1,-0.3 -2,-0.2 0.865 105.2 63.5 -75.7 -27.4 0.9 -8.9 -1.4 80 86 A G T 3< S+ 0 0 4 -4,-1.9 2,-0.4 -5,-0.2 45,-0.3 0.052 84.8 97.1 -88.8 28.8 -1.5 -11.6 -0.3 81 87 A K S X> S- 0 0 49 -3,-1.0 4,-2.6 44,-0.1 3,-1.8 -0.928 80.0-128.4-110.1 146.7 -3.8 -10.9 -3.2 82 88 A F H 3> S+ 0 0 17 -2,-0.4 4,-3.0 203,-0.3 5,-0.3 0.801 107.0 73.8 -58.8 -30.7 -3.8 -13.0 -6.4 83 89 A R H 34 S+ 0 0 90 202,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.805 113.2 24.8 -48.7 -39.2 -3.5 -9.7 -8.2 84 90 A F H X> S+ 0 0 5 -3,-1.8 3,-1.2 -6,-0.3 4,-1.0 0.818 120.8 54.5 -89.4 -51.0 0.1 -9.6 -6.9 85 91 A L H 3X S+ 0 0 1 -4,-2.6 4,-2.1 -6,-0.3 -3,-0.2 0.781 100.2 63.2 -56.8 -37.1 0.8 -13.4 -6.4 86 92 A N H 3X S+ 0 0 4 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.3 0.792 97.8 56.5 -53.5 -37.7 -0.2 -14.1 -10.1 87 93 A E H <> S+ 0 0 27 -3,-1.2 4,-1.0 -5,-0.3 -1,-0.2 0.862 109.4 45.8 -66.5 -32.4 2.7 -11.9 -11.2 88 94 A L H X S+ 0 0 2 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.838 110.0 53.2 -70.3 -45.7 5.1 -14.1 -9.2 89 95 A I H X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 7,-0.2 0.907 104.8 56.4 -57.9 -41.2 3.5 -17.3 -10.5 90 96 A K H < S+ 0 0 64 -4,-2.3 7,-2.8 1,-0.2 8,-0.5 0.860 107.9 49.1 -55.1 -41.6 4.1 -16.0 -14.0 91 97 A V H < S+ 0 0 2 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.8 38.1 -67.6 -37.2 7.8 -15.7 -13.2 92 98 A V H < S+ 0 0 7 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.551 98.5 88.1 -95.1 -9.9 8.3 -19.2 -11.8 93 99 A S ><> - 0 0 3 -4,-1.4 5,-2.9 -5,-0.1 3,-1.6 -0.807 64.4-146.7-106.9 125.8 6.1 -21.2 -14.1 94 100 A P T 3 5S+ 0 0 86 0, 0.0 5,-0.4 0, 0.0 -1,-0.1 0.791 100.1 67.6 -49.6 -44.9 7.2 -22.8 -17.4 95 101 A K T 3 5S+ 0 0 152 3,-0.1 -5,-0.1 2,-0.1 -3,-0.0 0.740 120.4 12.0 -40.9 -36.7 3.7 -22.2 -18.8 96 102 A Y T < 5S- 0 0 67 -3,-1.6 3,-0.2 -7,-0.2 -5,-0.1 0.554 134.4 -24.3-114.0-104.1 4.5 -18.5 -18.6 97 103 A L T >>5S+ 0 0 30 -7,-2.8 3,-1.6 -4,-0.3 4,-0.6 0.479 100.9 100.6 -95.4 -8.1 7.8 -16.7 -18.0 98 104 A G G >4 - 0 0 38 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.211 19.7-120.8 -60.7 151.9 17.1 -17.6 -14.1 103 109 A E H > S+ 0 0 118 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.828 113.8 60.8 -52.5 -40.1 17.0 -20.4 -11.5 104 110 A K H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.960 107.2 42.0 -57.3 -50.0 18.3 -17.7 -9.1 105 111 A V H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.916 118.3 45.1 -66.6 -43.8 15.2 -15.5 -9.5 106 112 A K H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.907 113.4 49.2 -69.8 -41.0 12.7 -18.3 -9.5 107 113 A N H X S+ 0 0 92 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.889 109.6 54.0 -65.3 -35.0 14.3 -20.1 -6.5 108 114 A K H X S+ 0 0 59 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.954 109.9 46.7 -63.7 -46.0 14.3 -16.7 -4.6 109 115 A I H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.893 111.3 50.5 -60.6 -48.7 10.6 -16.3 -5.2 110 116 A L H X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.876 111.2 50.3 -57.6 -39.6 9.8 -19.9 -4.2 111 117 A E H X S+ 0 0 97 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.906 110.2 49.2 -61.7 -51.2 11.8 -19.3 -1.0 112 118 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 109.1 51.0 -56.4 -50.7 10.0 -16.1 -0.2 113 119 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.931 111.4 49.3 -54.0 -50.1 6.5 -17.6 -0.7 114 120 A Y H X S+ 0 0 114 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.942 108.0 52.7 -48.5 -57.6 7.4 -20.5 1.7 115 121 A S H X S+ 0 0 46 -4,-2.5 4,-2.3 1,-0.2 3,-0.5 0.866 111.0 49.6 -51.7 -36.8 8.7 -18.1 4.3 116 122 A W H X S+ 0 0 16 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.864 100.2 60.1 -70.9 -42.2 5.4 -16.2 4.1 117 123 A T H < S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.685 116.6 37.8 -57.9 -15.9 3.1 -19.2 4.4 118 124 A V H < S+ 0 0 88 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.828 122.4 37.6-102.9 -45.5 4.8 -19.7 7.8 119 125 A G H < S+ 0 0 54 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.694 127.1 35.5 -83.6 -23.1 5.3 -16.1 9.1 120 126 A L >< + 0 0 26 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 -0.523 65.5 159.7-130.5 68.3 1.9 -14.8 7.8 121 127 A P T 3 + 0 0 84 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.745 70.0 65.3 -66.9 -24.7 -0.6 -17.7 8.1 122 128 A E T 3 S+ 0 0 118 1,-0.2 2,-1.7 -3,-0.1 3,-0.2 0.636 81.0 82.0 -69.6 -21.4 -3.6 -15.4 8.0 123 129 A E X> + 0 0 16 -3,-1.6 4,-1.0 -7,-0.2 3,-0.7 -0.672 62.4 174.0 -83.6 74.1 -2.8 -14.5 4.4 124 130 A V H 3> + 0 0 93 -2,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.741 65.9 64.4 -65.4 -18.8 -4.4 -17.6 3.1 125 131 A K H 3> S+ 0 0 66 -45,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.858 97.0 55.8 -75.2 -35.1 -4.0 -16.7 -0.6 126 132 A I H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.906 109.5 47.4 -57.2 -45.2 -0.3 -16.9 -0.4 127 133 A A H X S+ 0 0 42 -4,-1.0 4,-2.8 2,-0.2 5,-0.2 0.864 110.5 52.6 -64.9 -34.5 -0.6 -20.4 1.0 128 134 A E H X S+ 0 0 98 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.948 110.7 46.8 -63.9 -47.5 -3.1 -21.2 -1.9 129 135 A A H X S+ 0 0 1 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.919 114.2 48.1 -63.0 -40.4 -0.6 -19.9 -4.5 130 136 A Y H X S+ 0 0 25 -4,-2.5 4,-2.6 2,-0.2 9,-0.2 0.941 111.0 48.1 -65.5 -53.1 2.2 -22.0 -2.9 131 137 A Q H X S+ 0 0 100 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.893 109.7 55.2 -58.0 -31.3 0.3 -25.2 -2.6 132 138 A M H X S+ 0 0 16 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.953 109.4 45.5 -67.0 -43.0 -0.8 -24.8 -6.2 133 139 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 6,-0.7 0.896 114.0 50.4 -65.3 -40.0 2.8 -24.5 -7.3 134 140 A K H ><5S+ 0 0 113 -4,-2.6 3,-2.1 4,-0.2 -2,-0.2 0.942 106.4 53.3 -60.1 -51.3 3.7 -27.5 -5.2 135 141 A K H 3<5S+ 0 0 169 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.4 50.2 -56.3 -30.8 0.9 -29.7 -6.6 136 142 A Q T 3<5S- 0 0 84 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.458 118.7-115.3 -82.2 -7.7 2.3 -28.9 -10.1 137 143 A G T < 5S+ 0 0 51 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.670 88.1 115.2 78.6 16.7 5.8 -29.9 -8.9 138 144 A I < + 0 0 28 -5,-2.5 2,-0.8 -6,-0.2 -4,-0.2 0.942 50.8 94.1 -74.7 -56.5 7.2 -26.4 -9.4 139 145 A V 0 0 15 -6,-0.7 -2,-0.2 1,-0.4 -1,-0.2 -0.660 360.0 360.0 -62.8 104.9 7.7 -26.3 -5.6 140 146 A K 0 0 141 -2,-0.8 -1,-0.4 -3,-0.0 -2,-0.1 0.439 360.0 360.0-106.5 360.0 10.4 -27.2 -6.3 141 !* 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 0.0 142 7 B P 0 0 149 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.2 30.6 -0.0 -27.4 143 8 B E - 0 0 98 1,-0.1 5,-0.0 2,-0.0 28,-0.0 -0.811 360.0 -99.9-114.5 155.8 27.7 -0.5 -24.9 144 9 B T > - 0 0 76 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.102 29.6-116.4 -70.3 156.4 25.2 -3.2 -24.3 145 10 B L H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.859 116.3 59.0 -58.2 -35.7 21.6 -3.0 -25.4 146 11 B E H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.963 106.9 43.8 -58.2 -53.6 20.6 -3.0 -21.7 147 12 B A H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.896 115.6 49.7 -62.2 -37.8 22.6 0.1 -20.9 148 13 B R H X S+ 0 0 44 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.933 112.7 44.5 -65.1 -49.3 21.3 1.9 -24.0 149 14 B I H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.847 111.2 54.2 -66.8 -34.3 17.6 1.1 -23.4 150 15 B N H < S+ 0 0 30 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.904 115.0 40.9 -67.1 -40.6 17.9 2.0 -19.7 151 16 B R H >< S+ 0 0 80 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.893 114.8 51.3 -66.1 -46.9 19.3 5.4 -20.8 152 17 B A H 3< S+ 0 0 0 -4,-2.9 9,-0.4 1,-0.2 -2,-0.2 0.718 121.5 32.3 -67.1 -20.7 16.9 5.8 -23.7 153 18 B T T 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.175 79.8 147.5-123.6 12.2 13.8 5.1 -21.5 154 19 B N X - 0 0 47 -3,-0.8 3,-3.3 -4,-0.2 -3,-0.1 -0.363 44.5-145.7 -56.0 118.7 15.0 6.6 -18.2 155 20 B P T 3 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.618 98.9 66.3 -67.2 -7.8 11.9 8.0 -16.4 156 21 B L T 3 S+ 0 0 149 40,-0.0 2,-0.1 -150,-0.0 -2,-0.1 0.618 75.3 116.9 -80.2 -14.3 14.3 10.7 -15.1 157 22 B N < - 0 0 37 -3,-3.3 3,-0.1 1,-0.2 4,-0.0 -0.336 52.4-160.7 -60.6 130.8 14.7 12.1 -18.6 158 23 B K S S+ 0 0 213 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.781 78.6 6.5 -81.2 -26.8 13.5 15.6 -19.0 159 24 B E S S- 0 0 154 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.966 101.1 -66.9-145.3 164.3 13.3 15.1 -22.8 160 25 B L - 0 0 54 -2,-0.3 2,-0.9 1,-0.1 3,-0.1 -0.197 43.5-139.1 -47.3 137.0 13.7 12.4 -25.4 161 26 B D > + 0 0 43 -9,-0.4 4,-2.4 1,-0.2 5,-0.1 -0.783 24.7 177.3-109.8 81.2 17.3 11.2 -25.5 162 27 B W H > S+ 0 0 124 -2,-0.9 4,-2.5 2,-0.2 5,-0.3 0.772 76.3 60.2 -63.4 -36.7 18.0 10.8 -29.2 163 28 B A H > S+ 0 0 79 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.993 113.2 37.2 -43.1 -65.0 21.6 9.9 -28.8 164 29 B S H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -12,-0.2 0.866 116.4 53.5 -60.7 -39.0 20.6 6.9 -26.7 165 30 B I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.954 115.6 38.1 -64.5 -46.9 17.5 6.1 -28.8 166 31 B N H X S+ 0 0 66 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.866 112.6 57.6 -74.5 -39.0 19.4 6.0 -32.1 167 32 B G H X S+ 0 0 4 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.889 106.4 51.2 -53.1 -41.1 22.4 4.3 -30.5 168 33 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.946 109.7 47.9 -65.2 -44.5 20.1 1.5 -29.4 169 34 B c H X S+ 0 0 9 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.839 114.9 46.4 -68.1 -36.4 18.6 1.0 -32.9 170 35 B E H >X S+ 0 0 144 -4,-2.3 4,-0.6 2,-0.2 3,-0.5 0.881 111.4 52.2 -66.5 -41.7 22.1 1.0 -34.4 171 36 B Q H >X S+ 0 0 17 -4,-2.3 4,-1.3 1,-0.2 3,-1.3 0.922 101.1 58.6 -70.8 -36.9 23.5 -1.4 -31.8 172 37 B L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.800 105.8 51.0 -63.2 -24.5 20.8 -4.1 -32.2 173 38 B N H << S+ 0 0 55 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.625 100.9 60.3 -90.1 -15.0 21.6 -4.5 -35.9 174 39 B E H << S+ 0 0 125 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.846 99.0 66.0 -85.6 -26.5 25.3 -5.0 -35.4 175 40 B D S < S- 0 0 52 -4,-1.3 0, 0.0 1,-0.1 0, 0.0 -0.654 75.2-142.8 -88.9 145.6 24.8 -8.1 -33.3 176 41 B F S S+ 0 0 157 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.853 110.4 40.3 -70.6 -38.1 23.3 -11.3 -34.7 177 42 B E S > S+ 0 0 126 1,-0.2 4,-1.6 2,-0.1 5,-0.2 0.551 94.8 99.8 -86.6 -5.3 21.5 -11.9 -31.4 178 43 B G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.857 73.8 50.1 -36.9 -69.2 20.8 -8.1 -31.3 179 44 B P H > S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.797 111.1 45.4 -58.6 -39.0 17.2 -8.0 -32.7 180 45 B P H > S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.811 114.4 49.3 -77.7 -28.3 15.6 -10.6 -30.4 181 46 B L H X S+ 0 0 53 -4,-1.6 4,-2.5 -3,-0.3 5,-0.2 0.937 110.9 50.5 -63.1 -46.1 17.2 -9.2 -27.3 182 47 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.1 0.895 110.1 49.7 -65.1 -36.8 16.1 -5.7 -28.2 183 48 B T H X S+ 0 0 7 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.927 110.4 50.0 -70.4 -39.9 12.6 -6.9 -28.7 184 49 B R H X S+ 0 0 86 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.887 113.3 46.7 -60.0 -45.6 12.6 -8.7 -25.3 185 50 B L H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.891 111.7 51.2 -65.7 -38.0 13.9 -5.5 -23.6 186 51 B L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.889 103.7 56.9 -70.1 -50.5 11.4 -3.3 -25.3 187 52 B A H X S+ 0 0 10 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.931 108.3 47.7 -40.5 -56.9 8.4 -5.4 -24.4 188 53 B H H >< S+ 0 0 13 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.920 114.2 45.3 -56.1 -51.3 9.2 -5.0 -20.6 189 54 B K H >< S+ 0 0 6 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.861 109.8 54.9 -59.3 -42.7 9.8 -1.2 -20.8 190 55 B I H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.716 105.4 54.8 -62.8 -27.1 6.6 -0.7 -22.9 191 56 B Q T << S+ 0 0 35 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.319 82.0 131.5 -91.5 6.4 4.7 -2.5 -20.1 192 57 B S < - 0 0 13 -3,-1.6 6,-0.2 1,-0.1 -148,-0.1 -0.352 59.9-140.5 -60.3 138.0 5.9 -0.2 -17.4 193 58 B P S S+ 0 0 60 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.533 89.1 87.8 -63.7 -15.4 3.4 1.3 -14.9 194 59 B Q S >> S- 0 0 19 1,-0.2 4,-1.7 -150,-0.1 3,-1.0 -0.833 74.0-155.4 -93.0 103.9 5.5 4.5 -15.3 195 60 B E H 3> S+ 0 0 86 -2,-0.9 4,-2.7 1,-0.3 -1,-0.2 0.849 88.1 50.8 -54.6 -42.4 3.9 6.1 -18.2 196 61 B W H 3> S+ 0 0 83 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.817 108.2 54.0 -70.6 -29.0 6.9 8.2 -19.4 197 62 B E H <> S+ 0 0 7 -3,-1.0 4,-1.4 2,-0.2 -1,-0.3 0.914 113.0 43.2 -61.0 -45.3 9.1 5.1 -19.3 198 63 B A H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.849 112.1 53.8 -71.1 -39.3 6.6 3.3 -21.6 199 64 B I H X S+ 0 0 20 -4,-2.7 4,-1.8 -5,-0.2 3,-0.4 0.976 109.2 47.2 -62.3 -50.1 6.2 6.3 -23.8 200 65 B Q H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.809 111.2 52.4 -55.9 -45.8 10.0 6.7 -24.5 201 66 B A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.809 106.5 51.6 -59.8 -39.2 10.2 2.9 -25.2 202 67 B L H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.4 -2,-0.2 0.787 109.2 52.8 -70.9 -28.2 7.4 3.1 -27.8 203 68 B T H X S+ 0 0 18 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.829 108.2 49.4 -65.7 -42.0 9.4 5.9 -29.3 204 69 B V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.948 113.8 46.1 -57.3 -55.3 12.5 3.7 -29.4 205 70 B L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 112.3 50.6 -49.6 -54.9 10.4 0.9 -31.0 206 71 B E H X S+ 0 0 43 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.917 112.5 47.5 -48.9 -51.0 8.9 3.4 -33.5 207 72 B T H < S+ 0 0 26 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.862 113.0 45.8 -60.9 -44.9 12.4 4.7 -34.4 208 73 B c H >< S+ 0 0 4 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.832 109.9 54.2 -73.8 -38.1 14.0 1.3 -34.9 209 74 B M H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.831 103.3 59.4 -58.3 -29.9 11.1 0.0 -37.0 210 75 B K T 3< S+ 0 0 162 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.576 93.2 82.4 -76.5 -15.4 11.5 3.1 -39.2 211 76 B S S < S- 0 0 55 -3,-0.9 -3,-0.0 -4,-0.3 0, 0.0 -0.507 92.6-101.0 -93.7 171.0 15.0 2.1 -40.1 212 77 B b S S+ 0 0 122 -2,-0.2 -3,-0.0 4,-0.1 -1,-0.0 0.710 71.1 117.2 -68.0 -40.1 16.0 -0.4 -42.8 213 78 B G > - 0 0 20 1,-0.1 4,-1.4 -5,-0.1 -2,-0.1 -0.070 43.7-159.6 -49.2 136.6 16.8 -3.8 -41.2 214 79 B K H > S+ 0 0 142 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.819 87.7 63.2 -84.5 -29.8 14.7 -6.8 -42.1 215 80 B R H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.965 106.9 43.6 -60.6 -45.8 15.8 -8.9 -39.0 216 81 B F H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.922 111.7 53.3 -66.9 -41.1 14.3 -6.3 -36.6 217 82 B H H X S+ 0 0 22 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.903 112.0 47.1 -54.9 -45.4 11.1 -6.0 -38.8 218 83 B D H < S+ 0 0 49 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.822 109.9 51.4 -64.1 -43.1 10.8 -9.8 -38.6 219 84 B E H >< S+ 0 0 28 -4,-2.2 3,-1.1 1,-0.2 6,-0.4 0.902 112.7 45.6 -59.6 -49.2 11.4 -10.0 -34.8 220 85 B V H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.845 105.2 63.9 -64.5 -28.2 8.7 -7.4 -34.2 221 86 B G T 3< S+ 0 0 4 -4,-1.5 2,-0.4 -5,-0.3 45,-0.3 0.005 84.7 97.9 -90.1 26.8 6.4 -9.2 -36.6 222 87 B K S X> S- 0 0 53 -3,-1.1 4,-3.0 44,-0.1 3,-1.5 -0.951 79.5-129.1-103.3 146.5 6.3 -12.3 -34.4 223 88 B F H 3> S+ 0 0 18 -2,-0.4 4,-3.0 70,-0.3 5,-0.3 0.778 107.1 73.2 -53.4 -35.9 3.5 -13.0 -32.0 224 89 B R H 34 S+ 0 0 98 69,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.865 114.4 23.9 -50.7 -39.1 6.2 -13.5 -29.4 225 90 B F H X> S+ 0 0 2 -3,-1.5 3,-1.0 -6,-0.4 4,-0.9 0.817 121.2 55.7 -85.2 -49.5 6.5 -9.7 -29.5 226 91 B L H >X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 3,-0.5 0.841 100.4 61.8 -55.3 -39.6 3.1 -8.7 -30.8 227 92 B N H 3X S+ 0 0 13 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.801 99.0 56.1 -56.1 -33.0 1.4 -10.6 -27.9 228 93 B E H <> S+ 0 0 28 -3,-1.0 4,-1.0 -5,-0.3 -1,-0.2 0.804 107.9 46.9 -70.3 -34.3 3.2 -8.2 -25.4 229 94 B L H <> - 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