==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION 08-JUN-09 2KJQ . COMPND 2 MOLECULE: DNAA-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR Y.WU,M.MAGLAQUI,A.ELETSKY,C.CICCOSANTI,B.SATHYAMOORTHY,M.JIA . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 14.1 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 . 1 0.7 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 . 13 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 2 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 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 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 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 1 A M 0 0 237 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 149.1 -4.1 -6.7 -19.2 2 2 A G + 0 0 58 1,-0.1 3,-0.1 147,-0.0 0, 0.0 -0.820 360.0 169.6 141.5 -99.1 -0.6 -5.3 -18.8 3 3 A H + 0 0 186 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.544 48.9 120.5 64.7 8.2 2.0 -7.5 -17.1 4 4 A H + 0 0 97 142,-0.1 2,-0.3 144,-0.1 -1,-0.2 -0.905 27.4 151.5-111.0 120.2 4.6 -5.0 -18.3 5 5 A H + 0 0 85 -2,-0.6 2,-0.4 -3,-0.1 142,-0.1 -0.949 11.4 174.6-148.1 124.1 6.8 -3.2 -15.7 6 6 A H - 0 0 106 -2,-0.3 2,-0.7 142,-0.1 -2,-0.0 -0.980 37.5-114.0-135.9 123.7 10.3 -1.8 -16.3 7 7 A H + 0 0 138 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.359 40.6 168.9 -60.3 101.0 12.2 0.2 -13.7 8 8 A H - 0 0 111 -2,-0.7 2,-1.5 2,-0.1 -1,-0.1 -0.897 25.0-149.7-115.1 97.8 12.6 3.6 -15.2 9 9 A S + 0 0 104 -2,-0.6 2,-0.2 3,-0.0 3,-0.1 -0.535 50.4 110.4 -76.3 90.7 13.9 5.9 -12.4 10 10 A H + 0 0 158 -2,-1.5 -2,-0.1 1,-0.2 0, 0.0 -0.834 27.9 77.0-144.4-175.4 12.5 9.3 -13.2 11 11 A M + 0 0 140 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.993 40.5 153.6 67.3 75.0 9.9 11.8 -11.9 12 12 A D + 0 0 116 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.154 42.8 99.0-115.3 14.2 11.8 13.4 -9.0 13 13 A Y - 0 0 157 1,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.894 63.4-149.5-107.3 130.8 9.9 16.6 -9.2 14 14 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.948 23.9-166.4 -60.7 -52.3 6.9 17.3 -6.8 15 15 A S + 0 0 96 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.982 28.6 133.3 59.5 87.0 5.0 19.5 -9.3 16 16 A F + 0 0 167 2,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.987 26.2 178.1-157.5 157.0 2.3 21.3 -7.3 17 17 A D - 0 0 135 -2,-0.3 2,-0.0 0, 0.0 3,-0.0 -0.976 45.5 -71.3-157.4 160.7 0.7 24.7 -6.8 18 18 A K + 0 0 157 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.307 41.3 179.1 -58.1 133.8 -2.1 26.4 -4.8 19 19 A F + 0 0 158 1,-0.1 -1,-0.1 4,-0.0 -3,-0.0 0.979 21.6 175.8 -67.7 -60.0 -5.5 25.4 -6.2 20 20 A L + 0 0 112 3,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 -0.747 38.2 113.8-133.0 43.5 -6.8 27.0 -4.1 21 21 A G S S- 0 0 54 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.408 76.0-122.3 -64.9 1.7 -10.6 27.4 -4.2 22 22 A T + 0 0 139 1,-0.1 -1,-0.2 2,-0.0 2,-0.0 0.794 55.4 162.9 65.2 29.2 -10.9 25.5 -0.9 23 23 A E > - 0 0 114 1,-0.1 3,-0.5 2,-0.0 -1,-0.1 -0.215 54.9-122.8 -73.3 167.7 -13.2 23.0 -2.7 24 24 A N T >> S+ 0 0 128 1,-0.2 3,-2.1 2,-0.1 4,-0.6 0.229 86.6 109.9 -90.0 11.7 -14.1 19.6 -1.4 25 25 A A H 3> + 0 0 31 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.646 54.3 81.7 -61.5 -17.4 -12.7 18.5 -4.7 26 26 A E H <> S+ 0 0 156 -3,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.821 90.8 51.6 -58.5 -29.6 -9.8 17.0 -2.8 27 27 A L H <> S+ 0 0 86 -3,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.858 105.9 53.5 -72.9 -36.4 -12.1 14.0 -2.2 28 28 A V H < S+ 0 0 88 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.842 104.6 54.9 -67.9 -33.3 -12.8 13.8 -5.9 29 29 A Y H < S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.768 109.7 48.6 -69.4 -26.1 -9.0 13.6 -6.5 30 30 A V H < S+ 0 0 20 -4,-0.7 2,-0.4 -3,-0.2 -2,-0.2 0.922 87.0 96.9 -75.5 -45.9 -9.0 10.7 -4.1 31 31 A L < + 0 0 82 -4,-2.4 2,-0.2 27,-0.1 24,-0.1 -0.235 53.1 139.6 -54.3 102.3 -11.9 8.9 -5.8 32 32 A R - 0 0 119 -2,-0.4 2,-0.2 19,-0.1 -2,-0.1 -0.548 50.3 -80.4-127.1-164.9 -10.3 6.3 -8.1 33 33 A H - 0 0 165 -2,-0.2 -1,-0.1 1,-0.1 26,-0.1 -0.503 41.8-104.7 -99.3 170.0 -10.9 2.7 -9.2 34 34 A K - 0 0 155 -2,-0.2 2,-0.2 25,-0.1 -1,-0.1 -0.225 36.6-176.8 -83.5-179.8 -10.0 -0.5 -7.4 35 35 A H - 0 0 58 1,-0.2 -1,-0.1 21,-0.1 4,-0.1 -0.806 34.7 -22.7-158.8-164.9 -7.2 -2.9 -8.3 36 36 A G - 0 0 34 -2,-0.2 3,-0.3 1,-0.1 -1,-0.2 0.045 55.5-115.1 -57.1 164.7 -5.5 -6.3 -7.5 37 37 A Q S S+ 0 0 78 1,-0.3 81,-2.6 80,-0.1 2,-0.6 0.950 104.5 25.1 -68.1 -55.3 -5.8 -8.1 -4.2 38 38 A F E S+a 118 0A 34 79,-0.2 105,-2.8 103,-0.1 2,-0.4 -0.909 80.1 168.7-116.0 103.1 -2.1 -7.9 -3.1 39 39 A I E -ab 119 143A 9 79,-2.6 81,-2.4 -2,-0.6 2,-0.5 -0.956 17.3-170.2-123.3 131.2 -0.3 -4.9 -4.7 40 40 A Y E -ab 120 144A 0 103,-2.8 105,-2.0 -2,-0.4 2,-0.3 -0.981 11.9-178.3-118.3 123.2 3.1 -3.5 -3.9 41 41 A V E -a 121 0A 14 79,-2.9 81,-1.6 -2,-0.5 2,-0.4 -0.884 10.1-166.6-120.9 153.4 4.1 -0.2 -5.5 42 42 A W E -a 122 0A 51 103,-0.4 2,-0.8 -2,-0.3 81,-0.2 -0.922 66.6 -12.1-143.7 112.9 7.3 1.9 -5.3 43 43 A G S S+ 0 0 40 79,-1.0 80,-0.1 3,-0.7 103,-0.0 -0.621 114.7 69.6 107.1 -74.4 7.7 5.4 -6.5 44 44 A E S S- 0 0 70 -2,-0.8 3,-0.1 1,-0.1 -1,-0.1 0.709 128.9 -7.0 -57.3 -24.9 4.6 6.3 -8.5 45 45 A E S >>S+ 0 0 16 77,-0.2 2,-2.4 1,-0.1 5,-1.2 0.553 119.5 74.0-137.3 -51.0 2.3 6.3 -5.4 46 46 A G T 45 + 0 0 1 1,-0.2 -3,-0.7 76,-0.2 -2,-0.1 -0.448 67.6 99.6 -75.9 72.6 4.1 5.0 -2.3 47 47 A A T 45S- 0 0 58 -2,-2.4 -1,-0.2 -5,-0.1 75,-0.0 0.049 114.3 -65.8-140.9 23.9 6.2 8.2 -1.8 48 48 A G T 45S+ 0 0 44 -3,-0.2 -2,-0.1 73,-0.0 23,-0.0 0.791 118.7 91.8 90.3 33.5 4.2 9.8 0.9 49 49 A K T <5 + 0 0 129 -4,-0.8 -3,-0.1 0, 0.0 -4,-0.0 0.662 45.9 173.2-119.2 -57.7 1.1 10.5 -1.2 50 50 A S >< + 0 0 4 -5,-1.2 4,-2.7 1,-0.1 5,-0.2 0.603 31.0 132.2 62.5 16.9 -1.1 7.5 -0.6 51 51 A H H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.866 75.3 47.4 -70.5 -33.9 -4.0 9.0 -2.6 52 52 A L H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.826 111.3 52.7 -73.3 -30.8 -4.5 5.8 -4.6 53 53 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 46.4 -66.7 -44.9 -4.3 3.9 -1.3 54 54 A Q H X S+ 0 0 59 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.873 110.9 53.8 -65.4 -38.4 -7.0 6.1 0.2 55 55 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.933 110.3 46.1 -57.4 -48.8 -9.1 5.7 -3.0 56 56 A W H X S+ 0 0 2 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.870 113.7 48.6 -66.3 -38.8 -8.8 1.9 -2.7 57 57 A V H X S+ 0 0 7 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.926 112.7 48.7 -64.8 -44.1 -9.7 2.0 1.0 58 58 A A H X S+ 0 0 26 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.904 107.0 53.4 -66.1 -43.5 -12.7 4.3 0.3 59 59 A Q H < S+ 0 0 43 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.821 111.6 47.7 -64.9 -28.6 -14.2 2.3 -2.5 60 60 A A H ><>S+ 0 0 2 -4,-1.2 5,-1.8 -5,-0.2 3,-0.9 0.885 108.2 54.3 -75.1 -40.3 -14.1 -0.8 -0.2 61 61 A L H ><5S+ 0 0 88 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.856 101.2 60.1 -60.1 -36.4 -15.7 1.2 2.6 62 62 A E T 3<5S+ 0 0 153 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.761 99.0 57.3 -63.3 -26.7 -18.5 2.2 0.2 63 63 A A T < 5S- 0 0 67 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.413 122.8-107.2 -85.2 1.9 -19.3 -1.5 -0.1 64 64 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.655 80.1 130.9 80.9 16.1 -19.8 -1.8 3.6 65 65 A K < - 0 0 115 -5,-1.8 -1,-0.3 1,-0.0 2,-0.3 -0.732 64.0-103.1-103.6 153.4 -16.5 -3.6 4.0 66 66 A N + 0 0 72 -2,-0.3 20,-2.1 17,-0.2 19,-1.8 -0.574 49.0 158.1 -81.3 133.9 -13.8 -2.8 6.4 67 67 A A E +c 86 0A 7 -2,-0.3 2,-0.3 17,-0.2 20,-0.2 -0.988 10.5 173.6-156.0 141.6 -10.8 -1.0 5.1 68 68 A A E -c 87 0A 35 18,-2.4 20,-2.3 -2,-0.3 2,-0.4 -0.996 18.8-147.6-152.9 146.4 -8.0 1.1 6.5 69 69 A Y E -c 88 0A 90 -2,-0.3 2,-0.4 18,-0.2 20,-0.2 -0.950 17.0-164.6-116.3 137.6 -4.8 2.8 5.4 70 70 A I E -c 89 0A 25 18,-3.2 20,-1.9 -2,-0.4 2,-1.0 -0.982 19.9-135.4-128.1 130.1 -1.9 3.2 7.8 71 71 A D E >> -c 90 0A 34 -2,-0.4 4,-3.7 18,-0.2 3,-2.1 -0.742 13.2-161.5 -79.5 105.2 1.2 5.4 7.5 72 72 A A T 34 S+ 0 0 15 18,-3.0 21,-0.2 -2,-1.0 22,-0.2 0.442 93.9 45.1 -69.9 3.2 4.0 3.1 8.6 73 73 A A T 34 S+ 0 0 58 17,-0.3 -1,-0.3 19,-0.1 18,-0.1 0.232 126.5 26.4-125.4 9.3 6.1 6.3 9.2 74 74 A S T <4 S+ 0 0 90 -3,-2.1 -2,-0.2 1,-0.4 17,-0.1 0.500 120.2 40.7-141.5 -29.6 3.4 8.3 11.0 75 75 A M S < S- 0 0 84 -4,-3.7 -1,-0.4 0, 0.0 2,-0.1 -0.966 74.0-124.2-132.1 144.3 1.0 5.9 12.7 76 76 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.425 27.5-110.4 -83.3 160.5 1.6 2.7 14.6 77 77 A L - 0 0 21 -2,-0.1 2,-0.3 -5,-0.1 23,-0.1 -0.690 36.0-170.6 -91.2 144.9 0.0 -0.7 13.8 78 78 A T > - 0 0 70 -2,-0.3 3,-1.4 21,-0.1 4,-0.1 -0.861 39.1-112.7-131.5 164.9 -2.5 -2.2 16.2 79 79 A D G > S+ 0 0 127 -2,-0.3 3,-1.8 1,-0.3 4,-0.1 0.730 110.9 75.7 -68.0 -21.3 -4.4 -5.5 16.7 80 80 A A G > S+ 0 0 42 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.729 75.5 78.1 -60.2 -24.1 -7.5 -3.5 15.7 81 81 A A G X S+ 0 0 10 -3,-1.4 3,-1.3 1,-0.3 -1,-0.3 0.731 76.4 74.0 -60.2 -21.5 -6.2 -3.7 12.1 82 82 A F G < S+ 0 0 64 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.624 83.8 67.6 -69.1 -13.0 -7.5 -7.3 12.0 83 83 A E G < S+ 0 0 140 -3,-2.1 -1,-0.3 -4,-0.1 2,-0.2 0.800 88.2 82.6 -72.1 -29.0 -11.0 -5.9 11.8 84 84 A A < - 0 0 3 -3,-1.3 -17,-0.2 -4,-0.4 3,-0.1 -0.538 55.8-170.0 -83.9 138.7 -10.2 -4.6 8.3 85 85 A E S S+ 0 0 33 -19,-1.8 32,-2.6 -2,-0.2 2,-0.6 0.736 82.9 52.6 -91.9 -31.5 -10.4 -6.8 5.3 86 86 A Y E S-cd 67 117A 43 -20,-2.1 -18,-2.4 30,-0.2 2,-0.4 -0.926 73.4-176.9-109.3 113.2 -8.7 -4.2 3.1 87 87 A L E -cd 68 118A 6 30,-3.3 32,-1.7 -2,-0.6 2,-0.4 -0.917 9.4-171.8-114.5 136.1 -5.3 -3.0 4.4 88 88 A A E -cd 69 119A 1 -20,-2.3 -18,-3.2 -2,-0.4 2,-0.5 -0.991 3.7-173.2-126.4 125.3 -3.1 -0.3 2.9 89 89 A V E -cd 70 120A 12 30,-2.9 32,-1.9 -2,-0.4 3,-0.4 -0.953 2.4-175.2-124.9 114.9 0.4 0.4 4.3 90 90 A D E +cd 71 121A 2 -20,-1.9 -18,-3.0 -2,-0.5 -17,-0.3 -0.790 67.8 23.1-107.3 150.7 2.5 3.3 3.0 91 91 A Q S > S+ 0 0 45 30,-1.8 3,-0.9 -2,-0.3 2,-0.5 0.803 77.5 178.9 66.6 32.4 6.1 4.1 4.1 92 92 A V T 3 + 0 0 5 29,-1.1 -1,-0.2 -3,-0.4 31,-0.2 -0.554 49.9 78.7 -71.3 119.9 6.7 0.5 5.1 93 93 A E T 3 S+ 0 0 68 -2,-0.5 -1,-0.2 -21,-0.2 -20,-0.1 -0.001 74.5 73.9 172.9 -33.2 10.3 0.2 6.3 94 94 A K < + 0 0 145 -3,-0.9 2,-0.1 -22,-0.2 -2,-0.1 0.196 62.2 136.3 -88.8 14.5 10.1 1.6 9.8 95 95 A L - 0 0 24 1,-0.1 -23,-0.0 35,-0.1 -22,-0.0 -0.452 33.0-173.1 -60.7 133.6 8.3 -1.5 11.1 96 96 A G - 0 0 46 -2,-0.1 -1,-0.1 35,-0.0 0, 0.0 0.867 41.6 -65.1 -97.3 -84.5 10.0 -2.4 14.4 97 97 A N S > S+ 0 0 126 3,-0.1 4,-2.5 4,-0.0 5,-0.2 0.491 117.7 35.4-139.4 -72.4 9.1 -5.6 16.2 98 98 A E H > S+ 0 0 154 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.914 121.1 48.4 -63.5 -43.7 5.5 -6.1 17.5 99 99 A E H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.831 111.4 51.6 -66.2 -32.0 3.9 -4.3 14.6 100 100 A Q H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 112.1 44.2 -72.6 -42.2 6.0 -6.3 12.2 101 101 A A H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.851 113.2 53.2 -67.6 -35.5 5.0 -9.6 13.8 102 102 A L H X S+ 0 0 33 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.944 109.7 47.2 -61.1 -49.4 1.4 -8.2 13.9 103 103 A L H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 110.2 53.5 -58.1 -45.0 1.7 -7.5 10.1 104 104 A F H X S+ 0 0 53 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.914 107.8 50.0 -54.6 -46.5 3.1 -11.0 9.7 105 105 A S H X S+ 0 0 53 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.870 106.9 55.7 -62.1 -37.4 0.1 -12.4 11.5 106 106 A I H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 106.0 51.0 -58.6 -46.4 -2.1 -10.3 9.1 107 107 A F H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.897 111.2 48.6 -56.5 -43.4 -0.3 -12.0 6.2 108 108 A N H X S+ 0 0 61 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.942 109.2 51.1 -63.4 -47.4 -1.1 -15.4 7.7 109 109 A R H X S+ 0 0 61 -4,-2.9 4,-1.6 1,-0.2 6,-0.3 0.832 113.8 47.3 -60.3 -33.5 -4.7 -14.6 8.4 110 110 A F H X>S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.2 5,-1.8 0.976 117.1 39.1 -69.1 -56.1 -5.0 -13.5 4.7 111 111 A R H <5S+ 0 0 162 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.829 116.9 52.5 -66.7 -33.9 -3.2 -16.5 3.2 112 112 A N H <5S+ 0 0 127 -4,-3.3 -1,-0.2 -5,-0.2 -3,-0.2 0.951 115.6 37.5 -66.6 -50.8 -4.9 -18.9 5.6 113 113 A S H <5S- 0 0 73 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.790 105.8-120.8 -74.6 -29.2 -8.5 -17.7 5.0 114 114 A G T <5S+ 0 0 62 -4,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.720 85.1 89.4 87.5 25.1 -8.0 -17.2 1.3 115 115 A K < + 0 0 91 -5,-1.8 -1,-0.3 -6,-0.3 -2,-0.1 -0.510 36.2 106.1-131.1-164.0 -9.0 -13.6 1.8 116 116 A G - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -30,-0.2 0.541 43.1-140.0 91.4 125.4 -7.3 -10.4 2.6 117 117 A F E - d 0 86A 55 -32,-2.6 -30,-3.3 -79,-0.0 2,-0.4 -0.975 24.1-179.4-119.3 131.6 -6.6 -7.4 0.5 118 118 A L E -ad 38 87A 0 -81,-2.6 -79,-2.6 -2,-0.4 2,-0.4 -0.987 15.0-178.8-139.0 141.3 -3.3 -5.5 0.8 119 119 A L E +ad 39 88A 0 -32,-1.7 -30,-2.9 -2,-0.4 2,-0.3 -0.955 11.8 179.8-141.4 116.3 -1.6 -2.5 -0.7 120 120 A L E -ad 40 89A 2 -81,-2.4 -79,-2.9 -2,-0.4 2,-0.4 -0.906 4.6-173.0-121.4 148.3 1.9 -1.4 0.2 121 121 A G E +ad 41 90A 0 -32,-1.9 -30,-1.8 -2,-0.3 -29,-1.1 -0.997 17.6 136.4-142.6 136.0 4.0 1.5 -1.0 122 122 A S E -a 42 0A 2 -81,-1.6 -79,-1.0 -2,-0.4 -76,-0.2 -0.862 54.9-100.5-156.2-167.8 7.6 2.5 -0.4 123 123 A E S S+ 0 0 122 -2,-0.2 -81,-0.1 -81,-0.2 -76,-0.1 0.476 101.7 27.7-104.9 -5.3 10.7 3.8 -2.2 124 124 A Y S S- 0 0 121 1,-0.0 -2,-0.1 -81,-0.0 3,-0.1 0.626 99.4 -74.8-121.9 -88.7 12.8 0.7 -2.5 125 125 A T >> - 0 0 49 1,-0.1 4,-1.4 -4,-0.0 3,-1.0 -0.893 28.2-110.4 178.4 154.3 11.5 -2.9 -2.7 126 126 A P T 34 S+ 0 0 11 0, 0.0 13,-0.1 0, 0.0 14,-0.1 0.787 117.3 41.6 -70.4 -28.6 10.0 -5.7 -0.5 127 127 A Q T 34 S+ 0 0 132 1,-0.1 4,-0.1 12,-0.1 9,-0.0 0.362 116.4 49.5-100.4 4.3 13.0 -8.0 -0.6 128 128 A Q T <4 S+ 0 0 141 -3,-1.0 -1,-0.1 2,-0.1 2,-0.1 0.543 87.6 100.4-115.7 -16.5 15.5 -5.2 -0.3 129 129 A L S < S- 0 0 10 -4,-1.4 2,-1.4 1,-0.1 -36,-0.1 -0.356 87.9 -99.9 -70.7 152.0 14.0 -3.4 2.7 130 130 A V S S+ 0 0 130 -37,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.600 75.2 124.4 -76.8 92.7 15.4 -4.0 6.2 131 131 A I - 0 0 24 -2,-1.4 2,-0.1 -4,-0.1 -35,-0.0 -0.895 65.1 -83.2-141.2 171.5 12.9 -6.5 7.6 132 132 A R > - 0 0 164 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.415 37.9-117.6 -78.7 156.3 13.0 -10.0 9.1 133 133 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.760 112.0 61.8 -68.5 -23.1 13.1 -13.0 6.8 134 134 A D H > S+ 0 0 57 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.893 112.6 35.7 -69.7 -38.5 9.8 -14.3 8.1 135 135 A L H > S+ 0 0 2 -3,-0.5 4,-1.5 2,-0.2 3,-0.5 0.879 112.4 59.8 -79.2 -40.0 8.0 -11.1 6.9 136 136 A R H < S+ 0 0 79 -4,-2.5 4,-0.4 1,-0.3 -2,-0.2 0.855 102.3 53.2 -59.8 -36.8 10.2 -10.8 3.7 137 137 A T H >< S+ 0 0 89 -4,-1.7 3,-0.8 1,-0.2 -1,-0.3 0.843 107.8 51.4 -67.3 -32.3 9.1 -14.2 2.5 138 138 A R H >< S+ 0 0 56 -4,-0.6 3,-1.9 -3,-0.5 4,-0.2 0.785 96.6 68.6 -73.5 -27.3 5.4 -13.1 2.9 139 139 A M G >< S+ 0 0 6 -4,-1.5 3,-1.1 1,-0.3 -1,-0.2 0.698 86.3 70.2 -64.5 -18.5 6.1 -10.0 0.9 140 140 A A G < S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.660 85.0 67.6 -73.5 -15.9 6.6 -12.3 -2.1 141 141 A Y G < S+ 0 0 103 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.2 0.600 87.9 82.8 -79.4 -11.7 2.8 -13.0 -2.0 142 142 A C S < S- 0 0 9 -3,-1.1 -103,-0.2 -4,-0.2 2,-0.1 -0.758 82.8-123.5 -94.9 139.2 2.2 -9.4 -3.1 143 143 A L E -b 39 0A 103 -105,-2.8 -103,-2.8 -2,-0.4 2,-0.6 -0.455 14.9-128.4 -79.0 154.8 2.4 -8.5 -6.7 144 144 A V E -b 40 0A 53 -105,-0.2 2,-0.5 -2,-0.1 -103,-0.2 -0.916 29.5-177.2-107.6 114.7 4.7 -5.8 -8.0 145 145 A Y - 0 0 122 -105,-2.0 2,-0.4 -2,-0.6 -103,-0.4 -0.953 11.5-175.6-121.3 122.4 3.0 -3.2 -10.1 146 146 A E - 0 0 15 -2,-0.5 -142,-0.1 -142,-0.2 -103,-0.0 -0.956 18.2-152.7-110.9 133.0 4.6 -0.3 -11.9 147 147 A V + 0 0 121 -2,-0.4 -1,-0.1 2,-0.1 -142,-0.1 0.381 58.7 123.8 -87.0 5.1 2.2 2.1 -13.7 148 148 A K 0 0 35 1,-0.1 -142,-0.1 -142,-0.0 -2,-0.1 -0.476 360.0 360.0 -65.8 132.5 5.1 2.9 -16.1 149 149 A P 0 0 152 0, 0.0 -1,-0.1 0, 0.0 -144,-0.1 -0.313 360.0 360.0 -54.5 360.0 4.1 2.2 -19.8