==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-FEB-13 3ZLM . COMPND 2 MOLECULE: ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE NMFIC . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR A.GOEPFERT,T.SCHIRMER . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 67.2 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 . 6 3.4 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 0.6 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 . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 48.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 1 0 1 1 1 0 3 0 0 1 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 13 A S > 0 0 108 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.8 -64.9 -49.3 -18.2 2 14 A I H > + 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 360.0 48.1 -57.8 -47.1 -62.7 -50.5 -15.4 3 15 A D H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.2 51.2 -60.0 -42.6 -59.9 -48.8 -17.3 4 16 A E H > S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 111.8 46.3 -64.6 -42.0 -62.0 -45.6 -17.7 5 17 A Q H X S+ 0 0 96 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.876 112.4 49.8 -68.8 -38.3 -62.8 -45.4 -13.9 6 18 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.844 105.5 57.5 -71.5 -31.5 -59.2 -46.1 -12.9 7 19 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.902 106.9 49.0 -59.2 -42.0 -58.1 -43.4 -15.3 8 20 A H H X S+ 0 0 107 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.919 110.7 50.7 -62.8 -42.8 -60.4 -41.0 -13.3 9 21 A N H X S+ 0 0 39 -4,-2.0 4,-2.2 28,-0.2 -2,-0.2 0.901 109.0 51.1 -60.3 -41.9 -58.9 -42.3 -10.1 10 22 A A H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.915 111.4 47.5 -62.8 -45.1 -55.3 -41.7 -11.4 11 23 A R H X S+ 0 0 81 -4,-2.2 4,-2.9 1,-0.2 3,-0.5 0.904 111.6 50.5 -60.2 -43.8 -56.3 -38.1 -12.3 12 24 A R H X S+ 0 0 119 -4,-2.6 4,-2.7 1,-0.2 6,-0.5 0.850 99.6 65.3 -65.8 -34.4 -57.8 -37.5 -8.9 13 25 A L H < S+ 0 0 0 -4,-2.2 6,-2.2 1,-0.2 7,-0.2 0.882 114.9 30.8 -52.3 -41.6 -54.7 -38.8 -7.2 14 26 A F H >< S+ 0 0 48 -4,-1.1 3,-1.0 -3,-0.5 -2,-0.2 0.904 118.2 53.1 -86.1 -45.5 -52.8 -35.8 -8.6 15 27 A E H 3< S+ 0 0 114 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.901 112.2 46.3 -55.8 -45.3 -55.6 -33.2 -8.7 16 28 A S T 3< S- 0 0 36 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.610 108.1-121.9 -72.7 -16.8 -56.5 -33.8 -5.0 17 29 A G S X S+ 0 0 14 -3,-1.0 3,-2.0 -5,-0.2 4,-0.2 0.408 77.0 126.9 82.0 -1.5 -52.8 -33.7 -3.8 18 30 A D G > + 0 0 50 -6,-0.5 3,-2.0 1,-0.3 4,-0.2 0.778 60.7 71.7 -59.6 -26.7 -53.3 -37.2 -2.4 19 31 A I G > S+ 0 0 8 -6,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.831 88.9 62.1 -52.3 -34.7 -50.2 -38.2 -4.4 20 32 A D G < S+ 0 0 112 -3,-2.0 -1,-0.3 -7,-0.2 -2,-0.2 0.536 100.0 53.7 -72.4 -8.6 -48.2 -36.1 -1.9 21 33 A R G < S+ 0 0 166 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 0.329 81.7 109.9-107.6 4.1 -49.3 -38.5 0.9 22 34 A I S < S- 0 0 19 -3,-1.2 2,-0.2 -4,-0.2 7,-0.1 -0.653 77.5-112.7 -81.9 134.1 -48.1 -41.7 -0.7 23 35 A E - 0 0 100 -2,-0.3 3,-0.4 1,-0.1 2,-0.4 -0.488 37.6-125.7 -67.9 132.3 -45.1 -43.4 0.9 24 36 A V S S- 0 0 37 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.683 72.9 -5.3 -93.1 130.6 -42.1 -43.2 -1.5 25 37 A G S S+ 0 0 1 -2,-0.4 2,-0.2 83,-0.3 -1,-0.2 0.587 101.1 111.9 76.0 12.8 -40.0 -46.1 -2.8 26 38 A T S > S- 0 0 29 -3,-0.4 4,-1.5 1,-0.1 -1,-0.2 -0.712 76.3-118.4-114.2 163.6 -41.6 -48.8 -0.6 27 39 A T H > S+ 0 0 15 -2,-0.2 4,-2.2 2,-0.2 3,-0.2 0.928 116.2 53.9 -61.6 -46.5 -43.7 -51.9 -1.1 28 40 A A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 106.1 52.7 -57.8 -39.5 -46.5 -50.3 1.0 29 41 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 107.5 50.8 -66.1 -37.2 -46.5 -47.1 -1.2 30 42 A L H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.914 110.2 50.5 -64.3 -40.3 -46.9 -49.2 -4.3 31 43 A Q H X S+ 0 0 45 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.878 108.1 52.7 -65.4 -39.1 -49.8 -50.9 -2.6 32 44 A Q H X S+ 0 0 71 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.921 110.4 48.0 -57.8 -46.8 -51.3 -47.5 -1.8 33 45 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.964 113.5 46.5 -58.3 -50.9 -51.0 -46.4 -5.4 34 46 A H H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.882 112.3 50.4 -62.4 -41.1 -52.6 -49.7 -6.6 35 47 A R H X S+ 0 0 120 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.884 111.2 49.8 -62.1 -40.5 -55.4 -49.4 -4.0 36 48 A Y H < S+ 0 0 65 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.929 116.9 39.6 -65.7 -46.1 -56.1 -45.8 -5.1 37 49 A L H < S+ 0 0 0 -4,-2.5 -28,-0.2 -5,-0.2 -2,-0.2 0.846 132.2 22.1 -71.1 -36.0 -56.2 -46.6 -8.8 38 50 A F H >X S+ 0 0 0 -4,-2.4 3,-2.6 -5,-0.2 4,-2.3 0.420 79.1 131.8-121.4 -2.1 -58.2 -49.9 -8.6 39 51 A G T 3< S+ 0 0 33 -4,-2.1 4,-0.1 1,-0.3 7,-0.0 -0.321 86.8 12.4 -55.1 130.0 -60.0 -49.9 -5.3 40 52 A G T 34 S+ 0 0 85 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.404 124.5 67.5 77.9 -1.9 -63.6 -51.0 -6.0 41 53 A L T <4 S+ 0 0 32 -3,-2.6 2,-0.5 1,-0.4 -2,-0.2 0.743 102.7 33.7-113.4 -49.7 -62.7 -52.1 -9.5 42 54 A Y S >< S- 0 0 23 -4,-2.3 3,-1.7 1,-0.1 -1,-0.4 -0.952 71.7-140.9-105.5 133.2 -60.4 -55.1 -8.9 43 55 A D T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.770 104.5 53.5 -55.0 -28.3 -61.2 -57.4 -5.9 44 56 A F T > S+ 0 0 39 2,-0.1 3,-2.7 -6,-0.1 -1,-0.3 0.214 75.0 150.2 -97.0 14.1 -57.4 -57.6 -5.4 45 57 A A T < S+ 0 0 12 -3,-1.7 -10,-0.2 1,-0.3 3,-0.1 -0.218 77.2 4.2 -53.4 130.1 -56.6 -53.9 -5.3 46 58 A G T 3 S+ 0 0 0 1,-0.2 2,-0.4 -16,-0.1 -1,-0.3 0.322 105.6 124.5 79.1 -7.6 -53.6 -53.3 -3.0 47 59 A Q < - 0 0 116 -3,-2.7 51,-0.3 -13,-0.1 2,-0.2 -0.731 63.6-124.4-102.4 132.5 -53.0 -57.0 -2.5 48 60 A I - 0 0 32 -2,-0.4 49,-0.2 49,-0.1 19,-0.0 -0.493 40.9-111.8 -68.5 130.1 -49.9 -59.0 -3.2 49 61 A R - 0 0 7 47,-3.2 17,-0.1 -2,-0.2 -1,-0.1 -0.170 22.8-165.0 -67.5 156.9 -50.7 -61.9 -5.6 50 62 A E + 0 0 159 2,-0.1 2,-0.3 16,-0.1 -1,-0.1 0.319 69.4 76.7-118.8 0.2 -50.6 -65.6 -4.6 51 63 A D S S- 0 0 100 12,-0.1 2,-0.2 11,-0.0 -2,-0.1 -0.772 81.7-113.3-110.3 157.8 -50.7 -66.9 -8.2 52 64 A N - 0 0 77 -2,-0.3 2,-0.3 10,-0.1 10,-0.1 -0.625 33.1-173.8 -90.7 147.6 -47.9 -67.0 -10.8 53 65 A I - 0 0 40 -2,-0.2 7,-2.2 8,-0.2 2,-0.3 -0.988 9.3-174.1-142.9 148.6 -47.9 -65.0 -13.9 54 66 A S E -A 59 0A 78 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.962 4.2-164.6-137.1 158.7 -45.9 -64.6 -17.1 55 67 A K E > -A 58 0A 77 3,-2.3 3,-2.2 -2,-0.3 -2,-0.0 -0.992 68.9 -12.9-146.4 135.4 -45.9 -62.2 -20.1 56 68 A G T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.734 131.0 -43.9 48.1 36.3 -44.3 -62.5 -23.5 57 69 A G T 3 S+ 0 0 86 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.504 115.7 108.7 89.6 5.6 -42.0 -65.4 -22.5 58 70 A F E < -A 55 0A 74 -3,-2.2 -3,-2.3 0, 0.0 2,-0.5 -0.970 56.6-148.2-120.6 126.4 -41.0 -64.0 -19.1 59 71 A R E -A 54 0A 124 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.791 20.6-136.7 -89.3 122.8 -42.2 -65.5 -15.8 60 72 A F - 0 0 13 -7,-2.2 34,-0.2 -2,-0.5 -7,-0.2 -0.243 50.2 -53.3 -72.3 167.6 -42.4 -62.9 -13.0 61 73 A A S S- 0 0 15 32,-2.4 -8,-0.2 1,-0.1 -1,-0.2 -0.114 70.3 -99.5 -47.9 133.4 -41.1 -63.6 -9.5 62 74 A N >> - 0 0 21 1,-0.1 3,-1.8 -3,-0.1 4,-0.5 -0.329 23.9-131.9 -59.3 130.7 -42.7 -66.8 -8.1 63 75 A A H >> S+ 0 0 10 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.787 102.5 68.0 -53.2 -32.1 -45.6 -66.1 -5.8 64 76 A M H 34 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.773 117.1 22.4 -68.8 -20.6 -44.1 -68.5 -3.2 65 77 A Y H <> S+ 0 0 117 -3,-1.8 4,-2.3 2,-0.1 -1,-0.2 0.209 92.2 106.2-126.3 19.4 -41.2 -66.1 -2.5 66 78 A L H S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.879 111.2 51.4 -62.7 -41.9 -39.5 -62.1 0.6 69 81 A A H X S+ 0 0 29 -4,-2.3 4,-2.8 1,-0.2 3,-0.4 0.927 107.7 52.4 -61.3 -44.9 -38.3 -60.6 -2.7 70 82 A L H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.855 102.3 59.1 -62.6 -34.7 -40.3 -57.4 -2.0 71 83 A V H < S+ 0 0 75 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.901 113.8 38.7 -58.8 -38.3 -38.7 -57.0 1.4 72 84 A K H >< S+ 0 0 141 -4,-1.2 3,-0.8 -3,-0.4 4,-0.4 0.877 112.4 55.6 -80.2 -41.9 -35.3 -56.9 -0.4 73 85 A I H >< S+ 0 0 15 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.922 103.6 54.0 -59.1 -45.2 -36.3 -54.8 -3.4 74 86 A E T 3< S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.706 102.3 59.5 -66.0 -18.4 -37.7 -52.0 -1.3 75 87 A Q T < S+ 0 0 137 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.516 78.5 117.4 -86.1 -6.2 -34.3 -51.7 0.6 76 88 A M S < S- 0 0 55 -3,-1.8 -3,-0.0 -4,-0.4 7,-0.0 -0.328 74.2-100.7 -62.2 143.7 -32.4 -51.0 -2.7 77 89 A P - 0 0 60 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 -0.198 26.5-165.8 -68.9 159.6 -30.8 -47.5 -2.8 78 90 A E + 0 0 29 1,-0.1 6,-0.1 9,-0.1 -2,-0.0 -0.060 50.7 113.8-133.4 28.8 -32.3 -44.5 -4.7 79 91 A R S S+ 0 0 167 38,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.846 75.3 29.7 -81.1 -34.0 -29.4 -42.1 -4.9 80 92 A T S > S- 0 0 54 1,-0.1 4,-2.6 -3,-0.0 5,-0.2 -0.806 82.0-108.2-125.1 163.1 -28.7 -41.9 -8.6 81 93 A F H > S+ 0 0 11 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.926 120.0 51.9 -52.3 -46.1 -30.6 -42.4 -11.8 82 94 A E H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 110.9 46.0 -63.0 -45.0 -28.9 -45.7 -12.4 83 95 A E H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 112.6 51.4 -62.8 -40.7 -29.8 -47.0 -9.0 84 96 A I H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 110.4 47.3 -65.5 -45.2 -33.4 -45.9 -9.3 85 97 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.915 110.4 53.6 -62.0 -39.5 -33.8 -47.5 -12.6 86 98 A A H X S+ 0 0 32 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.909 110.1 47.7 -61.5 -40.5 -32.3 -50.8 -11.2 87 99 A K H X S+ 0 0 4 -4,-2.3 4,-2.1 -10,-0.2 -1,-0.2 0.920 111.8 49.6 -64.9 -44.8 -34.8 -50.6 -8.3 88 100 A Y H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.904 108.1 54.1 -58.3 -45.2 -37.7 -50.1 -10.8 89 101 A V H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.892 110.0 46.5 -60.4 -41.2 -36.5 -53.0 -12.9 90 102 A E H X S+ 0 0 75 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.855 110.3 52.7 -70.1 -35.1 -36.6 -55.3 -9.9 91 103 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 109.1 50.5 -67.6 -34.6 -40.0 -54.1 -8.9 92 104 A N H < S+ 0 0 18 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.910 108.3 51.5 -66.7 -39.8 -41.2 -54.8 -12.4 93 105 A I H < S+ 0 0 32 -4,-2.0 -32,-2.4 1,-0.2 -2,-0.2 0.902 109.1 52.1 -61.6 -40.1 -39.7 -58.3 -12.1 94 106 A A H < S- 0 0 1 -4,-2.2 -2,-0.2 -34,-0.2 -1,-0.2 0.922 80.0-177.9 -60.5 -44.9 -41.6 -58.7 -8.9 95 107 A H < - 0 0 29 -4,-2.2 -3,-0.1 1,-0.1 -46,-0.1 0.936 9.6-168.0 45.3 62.2 -44.9 -57.6 -10.6 96 108 A P + 0 0 0 0, 0.0 -47,-3.2 0, 0.0 2,-0.3 0.568 54.7 59.3 -69.3 -11.3 -46.7 -57.9 -7.2 97 109 A F S S- 0 0 0 -49,-0.2 4,-0.2 1,-0.1 -49,-0.1 -0.750 81.1-121.4-114.3 161.2 -50.3 -57.7 -8.4 98 110 A L S S- 0 0 63 -51,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.835 96.6 -2.3 -66.0 -35.2 -52.4 -59.8 -10.8 99 111 A E S S+ 0 0 101 -55,-0.1 -1,-0.2 1,-0.1 -57,-0.0 -0.966 113.5 47.9-150.4 163.6 -53.1 -56.7 -12.9 100 112 A G > + 0 0 9 -2,-0.3 4,-1.7 -3,-0.1 5,-0.2 0.672 63.9 130.8 77.0 19.7 -52.3 -53.0 -13.0 101 113 A N H > + 0 0 6 2,-0.2 4,-2.3 -4,-0.2 5,-0.2 0.889 69.3 51.0 -67.8 -43.1 -48.6 -53.4 -12.3 102 114 A G H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.958 113.1 41.8 -61.5 -52.0 -47.4 -51.2 -15.1 103 115 A R H > S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.899 118.7 44.9 -68.5 -41.6 -49.6 -48.1 -14.3 104 116 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.903 113.9 48.2 -69.2 -40.6 -49.1 -48.3 -10.6 105 117 A T H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.781 105.6 57.7 -78.0 -25.8 -45.3 -48.9 -10.7 106 118 A R H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.890 108.6 46.6 -65.3 -38.1 -44.7 -46.0 -13.2 107 119 A I H X S+ 0 0 14 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.902 111.9 52.4 -65.1 -41.2 -46.3 -43.6 -10.7 108 120 A W H X S+ 0 0 3 -4,-1.8 4,-1.5 2,-0.2 -83,-0.3 0.886 107.9 51.2 -60.6 -41.2 -44.2 -45.2 -8.0 109 121 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.921 107.2 52.7 -62.7 -46.9 -41.0 -44.6 -10.2 110 122 A D H X S+ 0 0 24 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.894 106.6 53.3 -59.2 -39.5 -41.8 -41.0 -10.7 111 123 A L H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.889 110.5 46.9 -63.2 -39.0 -42.2 -40.5 -6.9 112 124 A V H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 5,-0.3 0.922 115.0 45.6 -69.0 -45.1 -38.7 -42.0 -6.4 113 125 A L H X>S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 6,-1.1 0.893 114.1 50.0 -60.2 -41.4 -37.1 -39.9 -9.2 114 126 A K H X5S+ 0 0 34 -4,-2.8 4,-1.0 4,-0.3 -2,-0.2 0.936 113.2 45.1 -67.1 -45.0 -38.9 -36.8 -7.9 115 127 A K H <5S+ 0 0 121 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.915 126.2 28.4 -62.7 -45.1 -37.8 -37.3 -4.3 116 128 A N H <5S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.792 137.9 18.8 -95.3 -32.0 -34.1 -38.1 -5.1 117 129 A L H <5S- 0 0 45 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.465 91.7-123.2-115.3 -9.4 -33.4 -36.2 -8.3 118 130 A K S < + 0 0 24 30,-3.4 3,-2.3 -2,-0.4 4,-0.2 -0.561 29.6 179.8 -84.5 73.4 -42.1 -36.9 -19.3 123 135 A W G > + 0 0 9 -2,-1.8 3,-2.4 1,-0.3 -1,-0.2 0.752 67.0 73.1 -53.3 -33.0 -44.1 -40.0 -20.4 124 136 A Q G 3 S+ 0 0 64 38,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.727 101.9 44.3 -55.4 -24.9 -46.0 -38.1 -23.2 125 137 A N G < S+ 0 0 100 -3,-2.3 2,-0.8 27,-0.1 -1,-0.3 0.333 91.6 98.3-100.4 5.0 -42.8 -38.2 -25.3 126 138 A V S < S- 0 0 0 -3,-2.4 23,-0.0 -4,-0.2 -1,-0.0 -0.856 76.7-127.2-101.2 103.9 -41.9 -41.8 -24.5 127 139 A S > - 0 0 46 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.154 4.9-136.3 -42.8 134.0 -43.0 -44.1 -27.3 128 140 A K H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.931 104.6 49.4 -60.4 -47.3 -45.2 -47.1 -26.4 129 141 A T H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 114.6 42.5 -62.1 -43.4 -43.2 -49.4 -28.7 130 142 A L H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.872 115.1 50.9 -74.4 -35.1 -39.8 -48.4 -27.3 131 143 A Y H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.964 112.0 45.1 -65.5 -53.5 -41.0 -48.4 -23.7 132 144 A L H X S+ 0 0 65 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.902 115.0 48.7 -59.5 -42.1 -42.5 -51.9 -23.9 133 145 A Q H X S+ 0 0 94 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.959 111.7 49.8 -58.0 -49.0 -39.4 -53.3 -25.7 134 146 A A H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 11,-0.4 0.876 110.7 48.8 -61.4 -40.2 -37.1 -51.7 -23.2 135 147 A M H < S+ 0 0 13 -4,-2.4 -1,-0.2 2,-0.2 3,-0.2 0.916 108.9 53.1 -65.3 -43.9 -39.1 -53.1 -20.2 136 148 A E H < S+ 0 0 146 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.858 115.1 42.2 -58.2 -33.8 -39.1 -56.6 -21.8 137 149 A R H >X S+ 0 0 123 -4,-1.9 4,-2.1 1,-0.2 3,-1.5 0.760 90.8 90.9 -83.1 -24.9 -35.3 -56.4 -22.1 138 150 A S T 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.3 4,-0.2 0.686 75.7 60.6 -54.3 -34.7 -34.6 -54.9 -18.7 139 151 A P T 34 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.901 117.6 32.6 -60.4 -36.1 -34.1 -58.0 -16.7 140 152 A V T <4 S- 0 0 109 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.918 142.5 -4.7 -82.3 -47.0 -31.2 -59.0 -18.9 141 153 A N < - 0 0 72 -4,-2.1 3,-0.5 -7,-0.1 4,-0.3 -0.902 51.0-161.9-154.2 119.5 -29.9 -55.4 -19.6 142 154 A D > + 0 0 33 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.325 65.8 105.1 -86.6 11.1 -31.5 -52.1 -18.6 143 155 A L H > S+ 0 0 89 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.920 79.4 49.6 -55.2 -51.3 -29.5 -50.1 -21.3 144 156 A E H > S+ 0 0 89 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.934 114.2 45.7 -53.7 -47.5 -32.5 -49.7 -23.6 145 157 A L H > S+ 0 0 0 -11,-0.4 4,-2.9 -4,-0.3 5,-0.3 0.921 114.5 46.9 -65.2 -45.8 -34.6 -48.5 -20.7 146 158 A R H X S+ 0 0 70 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.923 112.5 49.8 -62.0 -45.7 -32.0 -46.1 -19.3 147 159 A F H X S+ 0 0 164 -4,-3.1 4,-1.1 -5,-0.2 -2,-0.2 0.931 115.6 44.5 -58.6 -44.5 -31.3 -44.7 -22.8 148 160 A L H < S+ 0 0 22 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.945 119.4 37.8 -66.3 -52.1 -35.0 -44.1 -23.3 149 161 A L H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.2 -27,-0.2 0.885 109.7 58.4 -73.6 -39.2 -36.0 -42.6 -20.0 150 162 A K H >< S+ 0 0 110 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.849 104.2 53.9 -62.7 -34.0 -32.9 -40.5 -19.3 151 163 A D T 3< S+ 0 0 134 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.542 110.9 48.2 -72.8 -7.8 -33.5 -38.6 -22.5 152 164 A N T < S+ 0 0 23 -3,-2.0 -30,-3.4 -4,-0.2 -1,-0.2 0.047 78.8 124.3-126.6 27.1 -37.1 -37.9 -21.3 153 165 A L E < -B 121 0B 41 -3,-0.9 2,-0.3 -32,-0.2 -32,-0.2 -0.590 37.1-169.3 -81.9 150.0 -36.6 -36.6 -17.8 154 166 A T E -B 120 0B 22 -34,-2.4 -34,-1.9 -2,-0.2 -2,-0.0 -0.998 26.4-152.7-137.9 143.8 -38.0 -33.2 -16.8 155 167 A D S S+ 0 0 121 -2,-0.3 2,-1.7 -36,-0.2 3,-0.2 0.435 79.9 93.7 -89.6 0.8 -37.5 -31.0 -13.7 156 168 A D > + 0 0 78 1,-0.2 3,-1.3 -36,-0.1 -1,-0.1 -0.511 53.3 162.8 -89.7 68.6 -40.9 -29.4 -14.2 157 169 A V T 3 + 0 0 26 -2,-1.7 -1,-0.2 1,-0.3 -38,-0.1 0.591 64.2 42.6 -76.8 -14.7 -42.4 -31.9 -11.9 158 170 A D T 3 S+ 0 0 122 -3,-0.2 -1,-0.3 4,-0.0 2,-0.3 0.232 77.7 132.1-112.8 9.5 -45.7 -30.3 -11.0 159 171 A N <> - 0 0 56 -3,-1.3 4,-2.4 1,-0.1 5,-0.2 -0.474 53.9-141.7 -68.8 126.7 -46.7 -29.1 -14.5 160 172 A R H > S+ 0 0 181 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.872 98.0 49.8 -60.7 -39.7 -50.3 -30.0 -15.3 161 173 A E H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.5 0.948 111.8 47.4 -68.2 -46.2 -49.7 -30.8 -18.9 162 174 A I H > S+ 0 0 18 1,-0.2 4,-1.3 3,-0.2 -38,-0.3 0.921 117.0 45.1 -56.9 -45.2 -46.7 -33.1 -18.2 163 175 A I H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.967 120.1 36.0 -65.7 -53.1 -48.7 -34.9 -15.4 164 176 A F H X S+ 0 0 49 -4,-3.0 4,-1.9 2,-0.2 -3,-0.2 0.881 118.8 47.3 -79.3 -35.8 -52.0 -35.3 -17.3 165 177 A K H X S+ 0 0 73 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.835 113.2 53.6 -67.9 -30.2 -50.6 -36.1 -20.8 166 178 A G H X S+ 0 0 3 -4,-1.3 4,-2.7 -5,-0.5 -2,-0.2 0.907 106.3 49.5 -67.9 -45.8 -48.2 -38.5 -19.0 167 179 A I H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.906 110.4 52.1 -57.2 -44.3 -51.1 -40.3 -17.2 168 180 A E H X S+ 0 0 92 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.911 111.7 45.5 -59.6 -43.6 -52.8 -40.6 -20.6 169 181 A Q H X S+ 0 0 40 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.899 109.8 55.1 -67.4 -41.1 -49.7 -42.1 -22.2 170 182 A S H X S+ 0 0 8 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.902 110.1 45.6 -56.2 -44.0 -49.2 -44.4 -19.3 171 183 A Y H <>S+ 0 0 4 -4,-2.2 5,-1.9 1,-0.2 3,-0.5 0.850 108.0 58.2 -69.5 -35.0 -52.7 -45.8 -19.7 172 184 A Y H ><5S+ 0 0 97 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.838 94.9 64.5 -61.0 -34.7 -52.1 -46.0 -23.5 173 185 A Y H 3<5S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.893 103.4 48.8 -56.9 -37.8 -49.2 -48.4 -22.8 174 186 A G T 3<5S- 0 0 58 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.393 131.3 -94.7 -82.5 0.6 -51.7 -50.8 -21.4 175 187 A G T < 5S+ 0 0 53 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.542 76.4 141.0 101.3 9.8 -54.0 -50.5 -24.5 176 188 A Y < 0 0 49 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.781 360.0 360.0 -89.4 112.7 -56.5 -47.8 -23.4 177 189 A E 0 0 197 -2,-0.7 -1,-0.1 -5,-0.0 -5,-0.1 0.116 360.0 360.0 43.7 360.0 -57.3 -45.4 -26.3