==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-DEC-04 1Y63 . COMPND 2 MOLECULE: LMAJ004144AAA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR M.A.ROBIEN,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGENIC PROTO . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 13.1 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 1 0 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 6 A E 0 0 132 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.3 7.6 4.2 9.8 2 7 A Q - 0 0 139 1,-0.1 88,-0.1 69,-0.0 87,-0.0 -0.614 360.0 -97.1 -80.3 140.6 8.4 3.0 13.3 3 8 A P - 0 0 20 0, 0.0 68,-0.2 0, 0.0 69,-0.1 -0.272 20.6-149.8 -56.6 143.9 11.4 0.6 13.6 4 9 A K S S+ 0 0 124 67,-0.4 70,-0.2 68,-0.3 2,-0.2 0.556 78.9 31.4 -89.2 -15.1 10.6 -3.1 13.7 5 10 A G S S- 0 0 11 65,-0.3 2,-0.5 67,-0.3 70,-0.2 -0.537 98.4 -74.0-124.9-165.1 13.7 -3.9 15.8 6 11 A I - 0 0 19 -2,-0.2 70,-2.0 85,-0.0 2,-0.4 -0.868 45.0-165.0 -98.7 126.0 15.9 -2.4 18.5 7 12 A N E -a 76 0A 0 -2,-0.5 85,-2.7 68,-0.2 86,-0.9 -0.956 5.7-172.9-118.2 130.6 18.2 0.4 17.3 8 13 A I E -ab 77 93A 0 68,-2.7 70,-3.4 -2,-0.4 2,-0.5 -0.944 10.9-152.4-120.0 139.9 21.2 1.7 19.2 9 14 A L E -ab 78 94A 0 84,-2.3 86,-3.2 -2,-0.4 2,-0.5 -0.962 4.7-164.5-109.7 129.0 23.5 4.7 18.4 10 15 A I E +ab 79 95A 0 68,-3.0 70,-2.2 -2,-0.5 2,-0.2 -0.977 23.9 163.5-108.5 118.2 27.1 4.7 19.6 11 16 A T E + b 0 96A 0 84,-3.0 86,-2.4 -2,-0.5 2,-0.2 -0.752 7.9 118.1-132.2 175.9 28.6 8.2 19.3 12 17 A G - 0 0 0 69,-0.3 86,-0.1 68,-0.3 3,-0.1 -0.663 65.1 -47.2 140.1 157.8 31.6 10.0 20.7 13 18 A T S > S- 0 0 2 84,-0.5 3,-2.3 -2,-0.2 5,-0.3 -0.174 74.8 -82.7 -51.8 143.9 34.7 11.8 19.6 14 19 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.324 120.2 28.2 -47.1 132.3 36.9 9.9 17.1 15 20 A G T 3 S+ 0 0 19 -3,-0.1 92,-0.1 92,-0.1 -2,-0.1 0.272 85.6 109.9 95.3 -6.8 39.1 7.5 19.0 16 21 A T S < S- 0 0 0 -3,-2.3 82,-0.1 81,-0.1 -3,-0.1 0.619 96.1 -96.7 -73.8 -16.0 36.7 6.9 22.0 17 22 A G S > S+ 0 0 13 -4,-0.2 4,-2.6 80,-0.1 5,-0.2 0.650 74.2 141.2 114.3 20.6 35.9 3.4 20.9 18 23 A K H > S+ 0 0 19 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.930 77.4 41.8 -60.4 -51.3 32.7 3.5 18.9 19 24 A T H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 115.2 51.5 -66.0 -41.4 33.6 1.0 16.2 20 25 A S H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 113.9 43.9 -59.4 -46.4 35.2 -1.4 18.8 21 26 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.919 112.3 51.9 -67.2 -41.5 32.1 -1.3 21.0 22 27 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.884 110.0 49.6 -63.5 -38.2 29.7 -1.6 18.1 23 28 A E H X S+ 0 0 91 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.879 108.8 52.8 -69.6 -35.4 31.6 -4.7 16.9 24 29 A M H X S+ 0 0 39 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.931 110.9 47.4 -60.0 -43.8 31.5 -6.1 20.4 25 30 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 7,-0.3 0.937 111.5 49.5 -60.8 -48.0 27.7 -5.6 20.4 26 31 A A H < S+ 0 0 31 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.852 117.4 42.5 -62.7 -33.0 27.4 -7.2 17.0 27 32 A A H < S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.817 126.0 28.9 -77.0 -37.0 29.5 -10.2 18.1 28 33 A E H < S+ 0 0 94 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.759 106.2 68.7-101.6 -35.9 28.0 -10.7 21.6 29 34 A L S >< S- 0 0 13 -4,-2.6 3,-0.6 -5,-0.3 2,-0.5 -0.510 89.3 -95.4 -91.0 160.5 24.3 -9.6 21.5 30 35 A D T 3 S- 0 0 120 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.1 -0.666 92.2 -9.9 -84.8 123.3 21.6 -11.3 19.6 31 36 A G T 3 S+ 0 0 44 -2,-0.5 44,-2.3 1,-0.2 2,-0.4 0.703 83.9 149.5 74.6 26.9 20.6 -10.1 16.1 32 37 A F E < -c 75 0A 18 -3,-0.6 2,-0.5 -6,-0.3 44,-0.2 -0.829 28.6-162.2 -99.3 131.5 22.6 -6.9 15.8 33 38 A Q E -c 76 0A 95 42,-2.1 44,-2.8 -2,-0.4 2,-0.4 -0.937 17.9-134.8-106.1 131.7 23.9 -5.5 12.5 34 39 A H E -c 77 0A 32 -2,-0.5 2,-0.6 42,-0.2 44,-0.2 -0.724 13.8-165.2 -90.4 127.8 26.6 -2.9 12.7 35 40 A L E -c 78 0A 7 42,-2.5 44,-2.4 -2,-0.4 2,-1.1 -0.965 5.2-160.7-112.6 108.7 26.3 0.2 10.4 36 41 A E E >> -c 79 0A 54 -2,-0.6 4,-1.5 1,-0.2 3,-1.1 -0.781 7.4-167.9 -89.2 94.8 29.6 2.0 10.3 37 42 A V H 3> S+ 0 0 0 42,-1.7 4,-2.7 -2,-1.1 5,-0.2 0.832 80.1 61.4 -62.1 -35.1 28.3 5.4 9.1 38 43 A G H 3> S+ 0 0 39 41,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.871 104.6 50.4 -57.2 -36.8 31.7 6.9 8.3 39 44 A K H <> S+ 0 0 110 -3,-1.1 4,-3.0 2,-0.2 5,-0.2 0.910 109.2 51.0 -67.4 -39.3 32.2 4.0 5.7 40 45 A L H X S+ 0 0 23 -4,-1.5 4,-2.1 1,-0.2 6,-0.3 0.925 108.9 51.3 -62.5 -43.0 28.8 4.8 4.2 41 46 A V H <>S+ 0 0 7 -4,-2.7 5,-2.0 1,-0.2 4,-0.4 0.923 115.2 42.1 -60.3 -46.3 29.7 8.5 3.9 42 47 A K H ><5S+ 0 0 144 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.937 114.8 49.5 -61.9 -51.2 33.0 7.6 2.1 43 48 A E H 3<5S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.825 120.4 34.8 -63.8 -33.8 31.5 4.9 -0.1 44 49 A N T 3<5S- 0 0 64 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.267 103.9-120.3-106.9 8.9 28.6 7.0 -1.3 45 50 A H T < 5 + 0 0 118 -3,-1.0 2,-1.9 -4,-0.4 -3,-0.2 0.902 46.4 169.7 52.1 43.6 30.4 10.4 -1.4 46 51 A F < + 0 0 18 -5,-2.0 2,-0.3 -6,-0.3 -1,-0.2 -0.342 52.4 75.6 -81.2 56.6 27.8 11.8 1.1 47 52 A Y S S- 0 0 37 -2,-1.9 7,-0.3 -3,-0.1 5,-0.1 -0.970 73.5-136.8-159.8 161.3 30.0 14.9 1.5 48 53 A T 0 0 48 5,-3.8 6,-0.2 1,-0.3 -1,-0.1 0.908 360.0 360.0 -93.3 -47.6 30.7 18.1 -0.5 49 54 A E 0 0 146 4,-1.0 4,-1.8 2,-0.0 3,-0.8 -0.986 360.0 360.0-124.6 360.0 34.5 18.4 -0.1 50 ! 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 51 61 A T 0 0 89 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 17.0 35.1 13.0 3.2 52 62 A H + 0 0 122 -3,-0.8 2,-0.5 1,-0.1 0, 0.0 0.996 360.0 47.1 -86.6 -77.7 35.4 16.3 5.0 53 63 A I - 0 0 64 -4,-1.8 -5,-3.8 -6,-0.1 -4,-1.0 -0.547 61.3-167.3 -83.5 121.6 32.7 19.0 4.5 54 64 A I - 0 0 55 -2,-0.5 2,-0.1 -7,-0.3 -7,-0.1 -0.931 7.3-168.6-111.0 117.2 29.1 17.7 4.9 55 65 A E > - 0 0 95 -2,-0.6 4,-2.0 1,-0.0 3,-0.4 -0.410 40.1 -90.9 -98.3 175.2 26.4 20.0 3.8 56 66 A E H > S+ 0 0 152 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.893 126.1 49.4 -54.3 -44.7 22.6 19.8 4.3 57 67 A K H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.813 107.3 55.5 -66.4 -33.2 22.0 17.9 1.1 58 68 A D H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.895 108.2 48.5 -66.7 -43.8 24.8 15.4 2.0 59 69 A E H X S+ 0 0 74 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.924 109.5 53.5 -58.5 -45.1 23.0 14.7 5.3 60 70 A D H X S+ 0 0 77 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 109.2 47.6 -57.6 -46.6 19.7 14.2 3.5 61 71 A R H X S+ 0 0 128 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.872 110.6 51.7 -64.0 -40.6 21.2 11.7 1.1 62 72 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 110.9 48.5 -58.7 -48.3 22.8 9.7 4.0 63 73 A L H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.909 109.3 51.4 -62.2 -39.8 19.4 9.6 5.8 64 74 A D H < S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.6 49.0 -64.0 -37.1 17.6 8.4 2.7 65 75 A F H < S+ 0 0 83 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.898 116.7 41.5 -64.9 -44.1 20.2 5.7 2.3 66 76 A M H >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-0.6 0.814 94.7 82.3 -75.8 -31.1 19.9 4.6 6.0 67 77 A E H 3X S+ 0 0 46 -4,-2.6 4,-1.6 1,-0.3 5,-0.2 0.856 91.0 46.6 -46.6 -55.6 16.1 4.8 6.3 68 78 A P H 34 S+ 0 0 78 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.881 114.9 48.6 -59.9 -33.9 15.2 1.4 4.9 69 79 A I H X4 S+ 0 0 40 -3,-0.6 3,-1.3 -4,-0.5 -2,-0.2 0.937 109.3 53.0 -65.3 -45.5 17.9 -0.3 6.9 70 80 A M H 3< S+ 0 0 0 -4,-2.6 -65,-0.3 1,-0.3 -1,-0.2 0.777 113.5 41.1 -67.8 -25.8 16.8 1.4 10.1 71 81 A V T 3< S+ 0 0 7 -4,-1.6 -67,-0.4 -5,-0.2 -1,-0.3 0.405 95.7 107.8 -99.6 -0.1 13.1 0.4 9.8 72 82 A S S < S- 0 0 36 -3,-1.3 -68,-0.3 -4,-0.4 -67,-0.3 -0.252 82.4 -82.3 -75.1 163.4 14.0 -3.1 8.7 73 83 A R S S+ 0 0 216 -69,-0.1 -1,-0.1 -70,-0.1 -68,-0.1 -0.309 93.8 41.8 -64.5 149.3 13.5 -6.3 10.7 74 84 A G S S- 0 0 39 -70,-0.2 2,-0.3 -3,-0.1 -42,-0.1 -0.293 93.4 -68.5 101.8 174.8 16.4 -7.1 13.2 75 85 A N E - c 0 32A 21 -44,-2.3 -42,-2.1 -70,-0.2 2,-0.4 -0.710 42.9-156.5-106.0 148.7 18.4 -4.9 15.5 76 86 A H E -ac 7 33A 1 -70,-2.0 -68,-2.7 -2,-0.3 2,-0.6 -0.992 12.0-161.4-131.2 137.7 20.9 -2.3 14.4 77 87 A V E -ac 8 34A 0 -44,-2.8 -42,-2.5 -2,-0.4 2,-0.4 -0.970 18.3-160.1-117.5 111.3 23.9 -0.7 16.1 78 88 A V E -ac 9 35A 0 -70,-3.4 -68,-3.0 -2,-0.6 2,-0.5 -0.771 1.5-159.9 -97.9 141.3 24.8 2.5 14.4 79 89 A D E +ac 10 36A 6 -44,-2.4 -42,-1.7 -2,-0.4 -41,-0.5 -0.979 28.6 135.3-128.8 111.2 28.3 3.9 14.8 80 90 A Y - 0 0 10 -70,-2.2 -68,-0.3 -2,-0.5 -2,-0.0 -0.960 54.1-132.1-160.0 148.5 29.0 7.6 14.1 81 91 A H S S+ 0 0 79 -2,-0.3 -69,-0.3 -70,-0.2 2,-0.3 0.664 95.8 54.7 -74.9 -18.8 30.8 10.6 15.6 82 92 A S + 0 0 29 1,-0.1 48,-0.0 -71,-0.1 -2,-0.0 -0.769 51.3 168.5-113.7 161.4 27.8 12.8 15.1 83 93 A S > + 0 0 0 -2,-0.3 3,-1.3 -72,-0.1 -1,-0.1 0.560 57.5 83.1-143.1 -25.1 24.2 12.3 16.2 84 94 A E T 3 S+ 0 0 136 1,-0.3 4,-0.1 54,-0.0 -2,-0.0 0.811 86.4 64.6 -61.8 -30.9 22.0 15.4 15.7 85 95 A L T 3 S+ 0 0 24 2,-0.1 -1,-0.3 -22,-0.0 -22,-0.0 0.752 86.0 84.4 -66.1 -25.3 21.4 14.6 12.1 86 96 A F S < S- 0 0 7 -3,-1.3 2,-0.2 1,-0.1 5,-0.0 -0.510 85.2-108.3 -85.9 148.2 19.4 11.4 12.7 87 97 A P > - 0 0 38 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.503 16.9-133.0 -71.0 138.1 15.7 11.3 13.5 88 98 A E G > S+ 0 0 97 1,-0.3 3,-0.8 -2,-0.2 51,-0.1 0.790 101.6 75.8 -58.1 -28.0 14.8 10.4 17.1 89 99 A R G 3 S+ 0 0 80 1,-0.2 -1,-0.3 -87,-0.0 -3,-0.0 0.780 91.2 55.0 -50.7 -34.5 12.3 8.0 15.6 90 100 A W G < S+ 0 0 1 -3,-1.8 2,-0.4 -88,-0.1 -1,-0.2 0.825 97.3 70.7 -72.5 -33.8 15.1 5.6 14.7 91 101 A F < + 0 0 10 -3,-0.8 -83,-0.2 -4,-0.5 3,-0.1 -0.738 36.2 174.1-111.4 137.6 16.8 5.1 18.1 92 102 A H S S+ 0 0 56 -85,-2.7 2,-0.3 -2,-0.4 -84,-0.2 0.531 83.9 20.5-101.9 -13.5 15.9 3.4 21.4 93 103 A M E -b 8 0A 4 -86,-0.9 -84,-2.3 2,-0.0 2,-0.4 -0.965 59.5-163.2-155.3 139.6 19.2 4.0 23.0 94 104 A V E -bd 9 143A 0 48,-2.7 50,-3.0 -2,-0.3 2,-0.5 -0.997 10.4-164.9-128.1 122.7 22.1 6.5 22.5 95 105 A V E -bd 10 144A 0 -86,-3.2 -84,-3.0 -2,-0.4 2,-0.5 -0.950 1.9-161.9-110.9 123.0 25.5 5.7 24.1 96 106 A V E -bd 11 145A 0 48,-3.1 50,-2.7 -2,-0.5 2,-0.4 -0.945 10.7-150.5-107.4 124.9 28.0 8.4 24.3 97 107 A L E - d 0 146A 0 -86,-2.4 -84,-0.5 -2,-0.5 2,-0.3 -0.736 11.3-171.0 -96.9 137.4 31.6 7.3 24.9 98 108 A H E - d 0 147A 24 48,-2.2 50,-2.8 -2,-0.4 2,-0.3 -0.901 1.2-168.1-118.9 155.0 34.3 9.3 26.7 99 109 A T - 0 0 4 -2,-0.3 50,-0.1 48,-0.2 -83,-0.1 -0.997 30.5-105.2-143.9 137.4 38.0 8.7 27.0 100 110 A S > - 0 0 52 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.260 36.7-113.7 -57.8 150.9 40.6 10.3 29.3 101 111 A T H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 114.3 50.8 -61.1 -42.1 42.9 12.7 27.4 102 112 A E H > S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 114.1 43.9 -59.5 -43.3 46.0 10.6 27.9 103 113 A V H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 114.8 49.7 -68.7 -43.3 44.3 7.4 26.6 104 114 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.913 106.9 54.0 -63.2 -45.8 42.7 9.3 23.7 105 115 A F H X S+ 0 0 87 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.909 110.0 48.1 -55.2 -43.0 45.9 10.9 22.6 106 116 A E H X S+ 0 0 101 -4,-1.5 4,-2.8 -5,-0.2 5,-0.3 0.919 110.6 50.4 -67.1 -42.7 47.6 7.6 22.4 107 117 A R H X S+ 0 0 63 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.907 110.7 49.2 -59.5 -44.2 44.8 6.0 20.4 108 118 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -1,-0.2 0.835 113.1 48.0 -67.4 -29.9 44.8 8.8 17.9 109 119 A T H ><5S+ 0 0 59 -4,-1.6 3,-1.8 -5,-0.2 -2,-0.2 0.940 112.7 46.3 -72.4 -49.8 48.6 8.5 17.5 110 120 A K H 3<5S+ 0 0 162 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.868 110.6 53.8 -64.1 -35.6 48.6 4.7 17.1 111 121 A R T 3<5S- 0 0 200 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.360 115.3-122.5 -81.2 5.8 45.7 5.1 14.6 112 122 A Q T < 5 + 0 0 177 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.743 45.8 168.4 66.2 32.6 47.9 7.6 12.7 113 123 A Y < - 0 0 89 -5,-2.4 -1,-0.2 1,-0.1 2,-0.0 -0.450 45.5 -99.5 -66.7 150.3 45.7 10.8 12.6 114 124 A S > - 0 0 64 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.335 35.6-106.9 -63.7 158.1 47.7 13.9 11.4 115 125 A E H > S+ 0 0 138 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 120.7 50.6 -60.5 -35.9 48.9 16.1 14.3 116 126 A A H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 112.2 44.9 -65.1 -46.2 46.3 18.7 13.4 117 127 A K H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 112.2 53.5 -67.9 -37.5 43.4 16.2 13.3 118 128 A R H X S+ 0 0 44 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.948 111.2 45.1 -58.9 -49.6 44.6 14.7 16.5 119 129 A A H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.885 111.6 53.0 -62.4 -41.5 44.7 18.0 18.3 120 130 A E H X S+ 0 0 99 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.908 111.5 46.2 -58.0 -43.5 41.2 19.0 16.9 121 131 A N H X S+ 0 0 25 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.892 109.9 53.3 -70.1 -37.5 39.8 15.7 18.2 122 132 A M H X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 110.8 47.1 -61.5 -41.7 41.4 16.2 21.6 123 133 A E H X S+ 0 0 95 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 108.7 55.2 -66.5 -40.4 39.9 19.6 21.9 124 134 A A H <>S+ 0 0 24 -4,-2.2 5,-2.1 1,-0.2 6,-0.3 0.888 109.3 47.7 -60.5 -37.8 36.5 18.3 20.8 125 135 A E H ><5S+ 0 0 20 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.939 111.1 49.6 -69.2 -44.2 36.6 15.7 23.6 126 136 A I H 3<5S+ 0 0 101 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.853 111.8 49.7 -60.6 -35.6 37.6 18.3 26.3 127 137 A Q T 3<5S- 0 0 98 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.429 106.5-129.8 -86.3 3.2 34.8 20.5 25.1 128 138 A C T <>5 + 0 0 43 -3,-1.4 4,-2.6 -4,-0.2 5,-0.2 0.819 50.3 157.7 53.2 37.7 32.3 17.6 25.3 129 139 A I H >< + 0 0 80 -5,-2.1 4,-2.3 1,-0.2 5,-0.2 0.932 68.1 43.7 -59.2 -49.9 31.0 18.4 21.8 130 140 A C H > S+ 0 0 13 -6,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.897 114.8 48.6 -67.5 -41.1 29.6 14.9 21.0 131 141 A E H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.938 112.0 48.7 -64.7 -46.0 27.9 14.5 24.4 132 142 A E H X S+ 0 0 109 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.899 111.4 50.7 -61.9 -39.4 26.3 17.9 24.3 133 143 A E H X S+ 0 0 46 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.926 112.2 46.1 -61.1 -48.4 25.1 17.3 20.8 134 144 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.919 112.4 50.0 -63.0 -43.1 23.5 13.9 21.8 135 145 A R H < S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 111.3 49.9 -69.0 -27.1 21.9 15.3 24.9 136 146 A D H < S+ 0 0 140 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.768 116.5 41.7 -76.4 -24.6 20.4 18.2 22.8 137 147 A A H < S+ 0 0 19 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.586 112.0 43.4-100.5 -17.6 19.0 15.8 20.2 138 148 A Y S < S- 0 0 7 -4,-1.5 2,-0.2 -5,-0.1 5,-0.1 -0.863 92.6 -83.2-131.4 163.7 17.5 12.8 22.1 139 149 A E > - 0 0 139 -2,-0.3 3,-2.1 1,-0.1 4,-0.5 -0.442 37.9-127.4 -70.4 136.0 15.4 12.3 25.1 140 150 A D G > S+ 0 0 106 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.851 103.9 63.6 -57.9 -33.7 17.5 12.3 28.3 141 151 A D G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -48,-0.0 -2,-0.0 0.667 104.0 46.4 -68.4 -17.0 16.1 8.9 29.5 142 152 A I G < S+ 0 0 44 -3,-2.1 -48,-2.7 -49,-0.1 2,-0.6 0.430 90.8 99.2-101.5 0.8 17.6 7.0 26.5 143 153 A V E < -d 94 0A 14 -3,-1.5 2,-0.5 -4,-0.5 -48,-0.2 -0.801 49.0-175.5 -97.1 123.8 21.1 8.6 26.7 144 154 A L E -d 95 0A 13 -50,-3.0 -48,-3.1 -2,-0.6 2,-0.5 -0.963 5.9-163.9-116.6 125.8 23.8 6.6 28.4 145 155 A V E -d 96 0A 41 -2,-0.5 2,-0.4 -50,-0.2 -48,-0.2 -0.956 14.0-179.5-114.8 134.8 27.2 8.2 28.8 146 156 A R E -d 97 0A 75 -50,-2.7 -48,-2.2 -2,-0.5 2,-0.3 -0.994 32.1-124.3-141.5 133.1 30.1 5.9 29.6 147 157 A E E -d 98 0A 75 -2,-0.4 -48,-0.2 -50,-0.2 3,-0.1 -0.590 28.6-173.9 -67.1 136.3 33.8 6.2 30.3 148 158 A N + 0 0 3 -50,-2.8 -1,-0.1 -2,-0.3 -51,-0.0 -0.443 38.5 122.1-137.5 59.3 35.6 4.0 27.8 149 159 A D S S+ 0 0 33 -50,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.774 72.6 36.1 -88.7 -34.2 39.3 3.9 28.7 150 160 A T S > S- 0 0 70 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.777 77.7-116.3-124.5 163.6 39.7 0.1 29.2 151 161 A L H > S+ 0 0 121 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.871 116.7 57.5 -67.9 -35.5 38.4 -3.2 27.9 152 162 A E H > S+ 0 0 163 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 107.2 48.4 -58.9 -43.8 36.8 -3.9 31.2 153 163 A Q H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.932 110.4 51.0 -61.9 -46.1 34.9 -0.7 30.9 154 164 A M H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.922 111.0 47.9 -56.2 -47.2 33.8 -1.6 27.4 155 165 A A H X S+ 0 0 38 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.891 111.6 49.7 -64.1 -40.0 32.6 -5.0 28.5 156 166 A A H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.885 109.9 51.3 -66.6 -38.0 30.7 -3.6 31.4 157 167 A T H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.928 108.4 51.6 -62.6 -44.4 29.0 -1.0 29.2 158 168 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.896 108.5 52.1 -61.9 -34.6 28.0 -3.8 26.8 159 169 A E H X S+ 0 0 118 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.919 109.3 49.1 -65.7 -43.5 26.5 -5.7 29.8 160 170 A E H X S+ 0 0 56 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 111.9 49.6 -61.0 -42.6 24.5 -2.6 30.8 161 171 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.939 108.7 52.5 -60.5 -46.6 23.3 -2.2 27.1 162 172 A R H X S+ 0 0 111 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.907 110.2 48.5 -55.1 -44.9 22.3 -5.9 27.1 163 173 A E H X S+ 0 0 113 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.923 113.5 46.1 -63.1 -44.7 20.2 -5.4 30.2 164 174 A R H X S+ 0 0 86 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.873 111.5 52.5 -65.6 -37.3 18.6 -2.3 28.8 165 175 A V H X S+ 0 0 7 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.897 104.6 55.0 -65.5 -41.8 17.9 -4.1 25.5 166 176 A E H < S+ 0 0 122 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.903 107.6 51.1 -61.2 -39.4 16.2 -7.0 27.2 167 177 A V H < S+ 0 0 123 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.948 111.4 46.3 -60.3 -52.2 13.8 -4.6 28.9 168 178 A L H < 0 0 78 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.880 360.0 360.0 -56.7 -39.7 13.0 -3.0 25.5 169 179 A K < 0 0 116 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.854 360.0 360.0 -73.1 360.0 12.6 -6.5 24.0