==== 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 TRANSFERASE 19-FEB-02 1L1R . COMPND 2 MOLECULE: ADENINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR W.SHI,A.E.SARVER,C.C.WANG,K.S.TANAKA,S.C.ALMO,V.L.SCHRAMM . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 8.9 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 . 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 . 17 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 2 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 2 A T 0 0 188 0, 0.0 2,-0.1 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 137.1 34.0 35.9 48.9 2 3 A M - 0 0 60 1,-0.1 2,-0.2 4,-0.0 3,-0.0 -0.343 360.0-148.4 -67.6 149.6 30.4 34.5 48.4 3 4 A S > - 0 0 55 1,-0.1 4,-1.8 -2,-0.1 37,-0.1 -0.537 32.3 -98.2-109.3 176.3 29.8 31.8 45.8 4 5 A V H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 125.7 55.7 -63.2 -37.8 26.8 31.1 43.6 5 6 A A H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 104.8 52.7 -62.3 -38.3 25.7 28.5 46.1 6 7 A D H 4 S+ 0 0 73 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.911 108.3 50.8 -62.6 -42.0 25.8 31.1 48.8 7 8 A A H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 4,-0.5 0.920 107.4 53.4 -59.2 -45.0 23.6 33.3 46.7 8 9 A H H >< S+ 0 0 71 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.901 102.0 59.4 -57.3 -40.5 21.2 30.3 46.3 9 10 A A T 3< S+ 0 0 81 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.632 96.9 62.9 -65.7 -12.3 21.1 30.0 50.1 10 11 A L T < S+ 0 0 35 -3,-1.7 19,-0.3 -4,-0.4 -1,-0.3 0.617 77.4 108.6 -87.6 -13.1 19.7 33.6 50.3 11 12 A I < - 0 0 24 -3,-1.6 2,-0.4 -4,-0.5 16,-0.2 -0.411 58.3-148.6 -69.2 135.1 16.5 32.8 48.4 12 13 A K E -A 26 0A 84 14,-2.4 14,-3.4 -2,-0.1 2,-0.7 -0.864 2.9-145.7-106.1 141.0 13.3 32.8 50.5 13 14 A T E -A 25 0A 72 -2,-0.4 12,-0.2 12,-0.2 11,-0.1 -0.913 15.4-168.7-108.3 110.0 10.3 30.5 49.8 14 15 A I E -A 24 0A 70 10,-2.8 10,-1.9 -2,-0.7 3,-0.5 -0.883 15.3-138.8-101.4 115.4 7.1 32.3 50.6 15 16 A P S S+ 0 0 90 0, 0.0 8,-0.2 0, 0.0 5,-0.1 -0.412 77.8 15.0 -74.7 147.5 4.0 30.0 50.6 16 17 A D S S+ 0 0 96 1,-0.2 4,-0.3 -2,-0.1 7,-0.2 0.914 91.8 177.1 58.8 49.0 0.7 31.1 49.2 17 18 A F - 0 0 103 5,-2.7 -1,-0.2 -3,-0.5 7,-0.2 -0.997 62.1 -6.1-143.3 138.2 2.0 34.1 47.3 18 19 A P S S- 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.996 149.6 -0.5 -73.4 -4.3 0.8 36.2 45.4 19 20 A T S > S- 0 0 76 3,-0.2 3,-1.7 0, 0.0 -2,-0.2 -0.964 93.7 -82.9-141.1 154.0 -2.1 33.8 45.9 20 21 A K T 3 S+ 0 0 179 -2,-0.3 3,-0.1 -4,-0.3 0, 0.0 -0.360 113.9 39.2 -61.3 135.5 -2.5 30.6 47.9 21 22 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 -2,-0.0 -1,-0.2 -0.146 93.8 93.3 117.3 -36.3 -1.2 27.6 45.9 22 23 A I < - 0 0 32 -3,-1.7 -5,-2.7 -7,-0.1 2,-1.1 -0.809 64.8-148.8 -95.2 123.2 1.8 29.3 44.4 23 24 A A - 0 0 59 -2,-0.5 2,-0.2 -7,-0.2 -3,-0.1 -0.785 21.7-145.8 -92.1 99.2 5.1 29.0 46.4 24 25 A F E -A 14 0A 31 -10,-1.9 -10,-2.8 -2,-1.1 2,-0.8 -0.462 2.8-145.9 -70.9 129.5 6.9 32.2 45.6 25 26 A K E -A 13 0A 34 -2,-0.2 2,-0.8 -12,-0.2 -12,-0.2 -0.865 15.5-157.0 -97.0 106.2 10.6 32.1 45.3 26 27 A D E +A 12 0A 46 -14,-3.4 -14,-2.4 -2,-0.8 3,-0.3 -0.769 19.1 174.9 -89.3 109.0 11.9 35.5 46.6 27 28 A L >> + 0 0 12 -2,-0.8 3,-1.8 -16,-0.2 4,-1.1 0.355 46.1 112.4 -94.7 7.6 15.3 36.3 45.2 28 29 A S H 3> + 0 0 50 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.806 67.9 58.2 -53.0 -38.6 15.4 39.7 46.8 29 30 A D H 3> S+ 0 0 51 -3,-0.3 4,-0.6 -19,-0.3 -1,-0.3 0.746 100.5 58.8 -67.7 -19.6 18.2 39.0 49.3 30 31 A I H X4 S+ 0 0 1 -3,-1.8 3,-0.7 1,-0.2 7,-0.5 0.946 108.6 45.1 -69.8 -45.4 20.6 38.1 46.4 31 32 A L H 3< S+ 0 0 56 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.803 113.4 49.4 -66.6 -33.5 20.1 41.5 44.9 32 33 A S H 3< S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.526 98.4 74.5 -86.7 -5.3 20.5 43.4 48.2 33 34 A T S XX S- 0 0 39 -3,-0.7 4,-2.4 -4,-0.6 3,-1.1 -0.886 70.9-154.9-109.4 103.6 23.7 41.6 49.1 34 35 A P H 3> S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.830 91.8 51.9 -45.1 -46.2 26.6 42.9 47.1 35 36 A A H 3> S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -28,-0.1 0.862 113.3 46.2 -61.8 -33.7 28.8 39.7 47.3 36 37 A A H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 5,-0.2 0.910 111.1 50.2 -74.4 -44.6 25.8 37.6 46.1 37 38 A L H X S+ 0 0 31 -4,-2.4 4,-2.1 -7,-0.5 -2,-0.2 0.878 112.3 49.5 -61.8 -37.5 24.9 39.9 43.3 38 39 A D H X S+ 0 0 70 -4,-2.4 4,-3.2 -5,-0.3 5,-0.3 0.952 107.9 52.5 -66.1 -49.6 28.5 39.9 42.1 39 40 A A H X S+ 0 0 14 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.922 113.8 44.0 -51.7 -47.2 28.8 36.1 42.2 40 41 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.889 113.3 50.7 -67.6 -39.1 25.7 35.8 40.1 41 42 A R H X S+ 0 0 63 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.937 109.3 50.3 -64.0 -46.9 26.8 38.5 37.7 42 43 A K H X S+ 0 0 119 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.834 107.0 55.4 -61.7 -32.9 30.2 36.9 37.2 43 44 A E H X S+ 0 0 83 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.904 112.3 43.0 -67.1 -41.2 28.6 33.6 36.4 44 45 A V H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.965 115.6 46.5 -70.9 -50.0 26.5 35.2 33.7 45 46 A T H < S+ 0 0 28 -4,-3.0 4,-0.3 1,-0.2 3,-0.2 0.880 113.0 50.3 -61.4 -36.8 29.3 37.3 32.2 46 47 A A H >< S+ 0 0 61 -4,-2.3 3,-1.2 -5,-0.3 4,-0.3 0.906 105.7 57.2 -67.9 -38.7 31.8 34.4 32.3 47 48 A H H 3< S+ 0 0 94 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.805 114.0 37.2 -62.7 -29.9 29.2 32.1 30.5 48 49 A Y T >< S+ 0 0 6 -4,-1.3 3,-2.1 -3,-0.2 5,-0.3 0.244 79.3 113.5-108.4 15.6 28.9 34.4 27.5 49 50 A K T < S+ 0 0 168 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.823 85.4 40.7 -55.2 -34.8 32.5 35.6 27.2 50 51 A D T 3 S+ 0 0 150 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.213 97.5 95.4-100.1 15.1 32.9 33.8 23.9 51 52 A V S < S- 0 0 33 -3,-2.1 2,-2.4 1,-0.0 67,-0.0 -0.927 73.6-136.1-109.9 123.6 29.5 34.8 22.6 52 53 A P + 0 0 94 0, 0.0 66,-0.1 0, 0.0 -3,-0.1 -0.179 37.0 173.8 -73.6 49.8 29.2 37.9 20.4 53 54 A I - 0 0 16 -2,-2.4 66,-0.2 -5,-0.3 3,-0.1 -0.248 15.0-177.4 -53.9 141.9 26.1 39.2 22.1 54 55 A T + 0 0 47 64,-3.2 23,-0.7 1,-0.4 2,-0.3 0.562 65.2 21.2-117.5 -20.3 25.1 42.7 20.9 55 56 A K E -bc 77 119B 53 63,-1.7 65,-2.5 21,-0.2 2,-0.5 -0.995 59.4-143.6-151.5 142.1 22.2 43.4 23.1 56 57 A V E -bc 78 120B 0 21,-2.5 23,-2.8 -2,-0.3 2,-0.6 -0.921 18.7-160.2-103.4 129.9 20.7 42.3 26.4 57 58 A V E -bc 79 121B 0 63,-2.4 65,-3.4 -2,-0.5 2,-0.4 -0.969 10.2-166.9-113.9 113.9 16.9 42.2 26.4 58 59 A G E -bc 80 122B 0 21,-2.1 23,-2.3 -2,-0.6 2,-0.5 -0.823 15.5-127.1-104.5 143.5 15.5 42.3 29.9 59 60 A I E > -b 81 0B 3 63,-1.6 4,-2.0 -2,-0.4 5,-0.4 -0.758 42.7 -75.7 -97.9 125.1 11.9 41.6 30.7 60 61 A E T 4 S- 0 0 22 21,-2.8 2,-0.1 -2,-0.5 -1,-0.0 -0.322 96.0 -7.7 -57.3 132.7 9.7 43.9 32.7 61 62 A S T >4 S+ 0 0 72 22,-0.0 3,-2.2 62,-0.0 4,-0.5 -0.859 131.9 23.0-119.3 -30.3 10.1 44.1 35.5 62 63 A R G >> S+ 0 0 87 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.773 113.8 68.7 -64.3 -20.7 12.3 41.9 37.6 63 64 A G G 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 4,-0.3 0.582 88.7 68.7 -72.4 -6.9 14.3 41.1 34.4 64 65 A F G <> S+ 0 0 65 -3,-2.2 4,-2.2 -5,-0.4 5,-0.3 0.815 88.7 61.3 -79.2 -34.6 15.5 44.7 34.5 65 66 A I H <> S+ 0 0 79 -3,-0.7 4,-1.4 -4,-0.5 3,-0.2 0.989 119.5 20.2 -61.8 -67.4 17.6 44.5 37.7 66 67 A L H X S+ 0 0 4 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.709 119.4 71.9 -76.1 -14.6 20.3 42.0 36.8 67 68 A G H > S+ 0 0 0 -4,-0.3 4,-2.0 -5,-0.3 -2,-0.2 0.938 101.3 37.9 -63.5 -49.4 19.4 42.7 33.2 68 69 A G H X S+ 0 0 27 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.925 115.2 55.7 -68.4 -43.1 21.0 46.2 33.1 69 70 A I H X S+ 0 0 57 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.937 110.0 45.3 -53.2 -50.5 23.9 45.0 35.2 70 71 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.910 112.3 51.1 -63.0 -41.1 24.7 42.2 32.8 71 72 A A H X>S+ 0 0 2 -4,-2.0 5,-2.5 1,-0.2 4,-1.0 0.951 113.7 44.1 -61.6 -47.9 24.4 44.5 29.8 72 73 A N H <5S+ 0 0 141 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.9 51.7 -65.7 -34.5 26.7 47.1 31.3 73 74 A S H <5S+ 0 0 58 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.899 112.5 45.5 -67.8 -40.7 29.1 44.4 32.4 74 75 A L H <5S- 0 0 49 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.585 113.6-119.0 -77.9 -12.6 29.3 42.9 28.9 75 76 A G T <5S+ 0 0 66 -4,-1.0 2,-0.3 1,-0.3 -3,-0.2 0.785 73.3 117.5 79.7 27.3 29.6 46.3 27.3 76 77 A V < - 0 0 29 -5,-2.5 -1,-0.3 -6,-0.2 -21,-0.2 -0.883 67.0 -91.5-125.9 160.4 26.4 46.1 25.3 77 78 A G E -b 55 0B 34 -23,-0.7 -21,-2.5 -2,-0.3 2,-0.4 -0.186 32.7-127.4 -69.1 158.3 23.2 48.0 25.2 78 79 A F E -b 56 0B 72 -23,-0.2 2,-0.4 -21,-0.1 -21,-0.2 -0.913 19.0-165.7-109.9 134.6 20.1 47.2 27.2 79 80 A V E -b 57 0B 3 -23,-2.8 -21,-2.1 -2,-0.4 2,-0.4 -0.977 13.6-138.2-122.2 129.9 16.7 46.8 25.6 80 81 A A E -b 58 0B 30 -2,-0.4 2,-0.6 -23,-0.2 29,-0.4 -0.727 10.6-166.7 -92.5 131.4 13.4 46.8 27.6 81 82 A L E +b 59 0B 1 -23,-2.3 -21,-2.8 -2,-0.4 2,-0.3 -0.968 32.8 172.8-109.6 116.5 10.7 44.4 26.7 82 83 A R E -F 107 0C 73 25,-2.5 25,-3.2 -2,-0.6 3,-0.1 -0.801 36.0 -74.3-133.2 176.1 7.7 45.6 28.7 83 84 A K E > -F 106 0C 87 -2,-0.3 3,-1.1 23,-0.2 4,-0.3 -0.352 67.0 -87.3 -61.6 138.2 4.0 45.5 29.5 84 85 A A T 3 S+ 0 0 43 21,-2.6 -1,-0.1 1,-0.2 21,-0.1 -0.007 108.5 30.8 -47.7 145.6 1.8 46.9 26.8 85 86 A G T 3 S+ 0 0 76 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.396 99.4 85.5 85.9 -0.1 0.9 50.6 26.7 86 87 A K < + 0 0 94 -3,-1.1 -2,-0.1 -4,-0.1 -3,-0.1 0.823 69.0 73.6-101.9 -36.6 4.2 51.7 28.3 87 88 A L S S- 0 0 30 -4,-0.3 -2,-0.2 -5,-0.1 21,-0.1 -0.652 70.7-144.8 -84.0 128.3 6.7 52.0 25.4 88 89 A P + 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.307 60.1 29.8 -81.6 173.2 6.2 55.0 23.0 89 90 A G S S- 0 0 60 20,-0.1 2,-0.2 -2,-0.1 -2,-0.0 -0.062 109.6 -15.8 73.5-176.3 6.8 54.9 19.3 90 91 A D S S+ 0 0 124 19,-0.1 20,-2.0 1,-0.0 21,-0.4 -0.414 73.1 178.0 -65.8 131.5 6.5 51.9 16.9 91 92 A V E -G 109 0C 21 18,-0.3 2,-0.3 -2,-0.2 18,-0.2 -0.945 29.7-135.7-138.5 155.8 6.3 48.6 18.7 92 93 A C E -G 108 0C 7 16,-2.5 16,-1.6 -2,-0.3 2,-0.3 -0.840 31.5-159.2-104.5 147.2 5.9 44.9 18.1 93 94 A K E +G 107 0C 129 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.865 20.0 176.6-130.9 164.1 3.5 43.0 20.4 94 95 A C E -G 106 0C 17 12,-1.3 12,-2.5 -2,-0.3 2,-0.4 -0.845 17.4-146.1-166.9 126.1 2.7 39.5 21.6 95 96 A T E +G 105 0C 101 -2,-0.3 10,-0.3 10,-0.2 2,-0.2 -0.803 30.8 152.1 -99.8 136.9 0.1 38.3 24.2 96 97 A F E -G 104 0C 19 8,-2.9 8,-2.4 -2,-0.4 7,-0.5 -0.793 35.8-113.3-146.6-171.6 0.7 35.3 26.5 97 98 A D E - 0 0 96 -2,-0.2 2,-0.2 6,-0.2 5,-0.2 -0.997 24.8-174.6-136.6 137.7 -0.0 33.6 29.8 98 99 A M E > -G 101 0C 50 3,-2.3 3,-1.4 -2,-0.4 6,-0.0 -0.682 47.4 -72.4-123.4 179.9 2.2 32.9 32.8 99 100 A E T 3 S+ 0 0 76 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.767 125.4 16.0 -43.4 -42.8 2.0 31.1 36.2 100 101 A Y T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -78,-0.0 2,-0.2 -0.012 121.0 51.3-129.0 36.4 -0.3 33.6 38.0 101 102 A Q E < - G 0 98C 50 -3,-1.4 -3,-2.3 3,-0.0 2,-0.3 -0.833 58.2-154.2-170.7 128.4 -1.9 35.8 35.3 102 103 A K E S+ 0 0 88 -2,-0.2 -5,-0.2 -5,-0.2 -3,-0.0 -0.825 74.0 29.6-107.8 145.9 -3.7 35.2 32.0 103 104 A G E S+ 0 0 59 -7,-0.5 -6,-0.2 -2,-0.3 -1,-0.2 0.821 73.1 165.9 81.3 33.3 -3.8 37.6 29.0 104 105 A V E - G 0 96C 22 -8,-2.4 -8,-2.9 -3,-0.3 2,-0.4 -0.524 19.8-157.3 -81.7 149.3 -0.5 39.4 29.4 105 106 A T E - G 0 95C 39 -10,-0.3 -21,-2.6 -2,-0.2 2,-0.3 -0.975 6.6-169.5-132.6 121.5 0.9 41.5 26.6 106 107 A I E -FG 83 94C 1 -12,-2.5 -12,-1.3 -2,-0.4 2,-0.3 -0.806 6.3-170.0-109.1 150.8 4.5 42.4 26.1 107 108 A E E -FG 82 93C 32 -25,-3.2 -25,-2.5 -2,-0.3 2,-0.3 -0.938 10.2-168.5-138.1 159.8 6.0 44.9 23.7 108 109 A V E - G 0 92C 1 -16,-1.6 -16,-2.5 -2,-0.3 2,-0.3 -0.990 34.8-103.2-146.2 145.4 9.3 46.1 22.3 109 110 A Q E > - G 0 91C 21 -29,-0.4 3,-1.3 -2,-0.3 4,-0.4 -0.568 25.6-138.8 -71.7 128.3 10.3 49.1 20.3 110 111 A K G > S+ 0 0 114 -20,-2.0 3,-1.2 -2,-0.3 -1,-0.1 0.878 99.6 56.4 -52.4 -45.2 10.9 48.1 16.6 111 112 A R G 3 S+ 0 0 182 -21,-0.4 -1,-0.3 1,-0.2 -20,-0.1 0.666 95.0 66.5 -64.4 -20.5 14.0 50.3 16.3 112 113 A Q G < S+ 0 0 63 -3,-1.3 2,-0.3 -32,-0.1 -1,-0.2 0.652 104.0 39.4 -78.9 -15.7 15.8 48.7 19.2 113 114 A L < + 0 0 9 -3,-1.2 -1,-0.0 -4,-0.4 -5,-0.0 -0.966 61.8 143.9-137.1 152.1 16.3 45.2 17.5 114 115 A G > - 0 0 14 -2,-0.3 3,-1.6 29,-0.1 31,-0.2 -0.953 60.8 -66.7-166.2-177.6 17.0 43.8 14.1 115 116 A P T 3 S+ 0 0 68 0, 0.0 30,-0.3 0, 0.0 28,-0.1 0.717 120.6 61.4 -57.7 -25.1 18.8 41.1 12.0 116 117 A H T 3 S+ 0 0 176 28,-0.1 2,-0.1 2,-0.0 28,-0.1 0.657 87.6 101.5 -77.9 -13.8 22.3 42.3 13.0 117 118 A D < - 0 0 22 -3,-1.6 2,-0.6 -63,-0.1 28,-0.4 -0.418 54.3-161.4 -80.4 146.9 21.6 41.6 16.7 118 119 A V - 0 0 15 -66,-0.1 -64,-3.2 -2,-0.1 -63,-1.7 -0.981 30.7-151.2-120.3 108.7 22.7 38.7 18.8 119 120 A V E -cd 55 149B 0 29,-2.7 31,-3.1 -2,-0.6 2,-0.8 -0.700 24.5-162.0 -98.9 136.8 20.4 38.8 21.8 120 121 A L E -cd 56 150B 0 -65,-2.5 -63,-2.4 -2,-0.4 2,-0.5 -0.911 20.5-158.7-108.3 99.0 20.8 37.7 25.4 121 122 A L E -cd 57 151B 0 29,-3.2 31,-2.9 -2,-0.8 2,-0.4 -0.700 15.6-170.3 -78.4 125.2 17.2 37.5 26.6 122 123 A H E +cd 58 152B 1 -65,-3.4 -63,-1.6 -2,-0.5 2,-0.3 -0.972 18.3 158.1-127.2 138.5 17.3 37.8 30.4 123 124 A D E - d 0 153B 13 29,-1.9 31,-1.0 -2,-0.4 32,-0.1 -0.957 40.2-123.4-145.1 160.0 14.7 37.3 33.0 124 125 A D E S+ 0 0 19 -2,-0.3 31,-2.9 29,-0.2 30,-0.5 0.938 89.0 25.5 -74.4 -46.2 14.9 36.5 36.7 125 126 A V E - d 0 155B 26 29,-0.2 2,-0.7 28,-0.1 31,-0.2 -0.967 57.5-154.1-127.9 134.8 12.8 33.3 37.0 126 127 A L E + d 0 156B 3 29,-2.6 31,-2.4 -2,-0.4 36,-0.2 -0.918 34.7 148.5-103.6 109.6 11.9 30.6 34.6 127 128 A A S S- 0 0 21 -2,-0.7 35,-0.5 29,-0.1 36,-0.1 0.561 77.8 -13.9-103.3-102.4 8.6 29.0 35.7 128 129 A T S S- 0 0 48 34,-0.1 37,-0.2 33,-0.1 38,-0.2 0.876 88.3-122.5 -71.9 -38.6 6.3 27.7 33.0 129 130 A G S > S+ 0 0 5 36,-0.1 4,-2.4 37,-0.1 5,-0.2 0.440 76.1 120.8 109.1 3.3 8.3 29.4 30.2 130 131 A G H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.889 73.2 50.5 -66.2 -42.3 5.4 31.4 28.8 131 132 A T H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.930 115.8 43.0 -62.7 -43.7 7.0 34.9 29.3 132 133 A L H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.890 111.9 51.9 -70.7 -39.1 10.2 33.8 27.6 133 134 A L H X S+ 0 0 30 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.937 113.2 46.0 -62.7 -42.9 8.5 32.0 24.8 134 135 A A H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.840 111.1 54.6 -65.3 -32.7 6.5 35.1 24.1 135 136 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.881 104.7 52.0 -68.3 -40.6 9.7 37.1 24.5 136 137 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.894 108.7 51.9 -63.1 -39.6 11.4 35.0 21.8 137 138 A E H X S+ 0 0 70 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.906 107.4 52.8 -63.5 -41.7 8.5 35.7 19.5 138 139 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.945 110.4 46.4 -59.1 -49.4 8.8 39.4 20.1 139 140 A C H <>S+ 0 0 1 -4,-2.2 5,-2.0 1,-0.2 4,-0.4 0.926 113.1 49.7 -61.3 -44.0 12.5 39.4 19.2 140 141 A E H ><5S+ 0 0 55 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.893 108.7 51.3 -63.7 -38.3 12.0 37.4 16.1 141 142 A T H 3<5S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 105.7 57.7 -67.1 -28.0 9.1 39.6 14.9 142 143 A A T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.546 130.7 -94.3 -77.9 -7.4 11.5 42.6 15.4 143 144 A G T < 5S+ 0 0 29 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.2 0.289 76.3 141.5 115.5 -11.1 13.9 41.0 13.0 144 145 A V < - 0 0 2 -5,-2.0 -1,-0.3 -6,-0.1 -26,-0.1 -0.455 53.9-116.6 -67.6 133.0 16.4 39.0 15.3 145 146 A K > - 0 0 101 -28,-0.4 3,-2.6 -30,-0.3 -1,-0.1 -0.479 15.7-124.8 -73.7 136.6 17.4 35.7 13.8 146 147 A P G > S+ 0 0 68 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.843 111.4 53.7 -45.9 -43.5 16.4 32.5 15.7 147 148 A E G 3 S+ 0 0 99 1,-0.3 -2,-0.0 23,-0.1 -29,-0.0 0.615 101.6 63.4 -70.6 -11.3 20.0 31.3 15.8 148 149 A N G < S+ 0 0 38 -3,-2.6 -29,-2.7 -31,-0.1 2,-0.4 0.010 81.5 96.5-103.2 26.3 21.0 34.6 17.4 149 150 A I E < -d 119 0B 0 -3,-1.1 2,-0.4 -31,-0.2 23,-0.2 -0.961 45.8-179.0-119.0 133.9 19.0 34.4 20.6 150 151 A Y E -d 120 0B 54 -31,-3.1 -29,-3.2 -2,-0.4 2,-0.4 -0.978 14.7-145.8-127.9 142.9 20.4 33.2 23.9 151 152 A I E +de 121 173B 0 21,-3.0 23,-3.0 -2,-0.4 2,-0.4 -0.924 16.3 177.8-118.1 137.2 18.4 32.9 27.1 152 153 A N E +de 122 174B 0 -31,-2.9 -29,-1.9 -2,-0.4 2,-0.3 -0.999 0.9 176.3-136.1 137.0 19.6 33.5 30.7 153 154 A V E -de 123 175B 0 21,-1.8 23,-2.3 -2,-0.4 24,-0.2 -0.965 29.7-139.0-136.1 152.5 17.6 33.4 33.9 154 155 A L E S+ 0 0 5 -31,-1.0 23,-2.1 -30,-0.5 2,-0.4 0.936 91.3 24.4 -74.3 -46.1 18.8 33.8 37.5 155 156 A Y E -de 125 177B 3 -31,-2.9 -29,-2.6 21,-0.2 2,-0.5 -0.973 65.2-161.5-129.0 130.9 16.6 31.0 38.8 156 157 A E E -de 126 178B 4 21,-3.3 23,-2.7 -2,-0.4 2,-1.4 -0.935 8.7-156.5-116.0 120.2 15.1 27.9 37.1 157 158 A I > - 0 0 21 -31,-2.4 3,-1.2 -2,-0.5 5,-0.4 -0.703 12.6-173.4 -90.8 84.8 12.2 26.0 38.6 158 159 A E G > S+ 0 0 101 -2,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.707 70.9 78.6 -52.7 -22.1 12.8 22.7 36.9 159 160 A A G 3 S+ 0 0 83 1,-0.3 -1,-0.2 -3,-0.1 -32,-0.1 0.918 93.8 45.3 -54.6 -48.9 9.6 21.3 38.3 160 161 A L G < S- 0 0 65 -3,-1.2 -1,-0.3 -34,-0.2 -2,-0.2 0.330 103.2-133.7 -80.2 8.8 7.4 23.1 35.7 161 162 A K <> + 0 0 139 -3,-1.7 4,-1.1 -4,-0.2 -3,-0.1 0.863 46.7 157.1 37.2 58.4 9.7 22.1 32.8 162 163 A G H > + 0 0 1 -35,-0.5 4,-3.4 -5,-0.4 5,-0.4 0.788 64.7 68.1 -78.2 -27.5 9.8 25.5 31.2 163 164 A R H > S+ 0 0 92 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.871 101.6 46.4 -59.0 -38.7 13.1 24.6 29.5 164 165 A E H > S+ 0 0 133 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.930 113.9 48.8 -68.9 -44.8 11.3 22.1 27.3 165 166 A K H >< S+ 0 0 109 -4,-1.1 3,-1.6 -37,-0.2 4,-0.3 0.965 116.4 40.5 -56.9 -57.8 8.6 24.6 26.6 166 167 A V H >X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.3 3,-1.8 0.785 102.2 77.0 -62.7 -25.6 11.0 27.4 25.7 167 168 A G H 3< S+ 0 0 20 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.703 78.1 70.1 -59.3 -22.2 13.0 24.7 23.9 168 169 A Q T << S+ 0 0 161 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.825 118.2 19.8 -65.8 -28.4 10.6 24.7 21.0 169 170 A K T <4 S+ 0 0 74 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.681 137.1 18.0-112.1 -27.8 11.9 28.2 20.1 170 171 A C < + 0 0 4 -4,-2.9 -1,-0.3 -7,-0.2 -2,-0.1 -0.939 44.3 177.1-150.8 126.6 15.3 28.4 21.8 171 172 A T + 0 0 114 -2,-0.3 2,-1.1 1,-0.1 -4,-0.1 0.247 63.8 93.2-111.0 11.8 17.6 25.7 23.3 172 173 A R + 0 0 87 -23,-0.2 -21,-3.0 2,-0.0 2,-0.5 -0.728 56.1 152.1-102.3 78.8 20.5 27.9 24.4 173 174 A L E -e 151 0B 15 -2,-1.1 2,-0.5 -23,-0.2 -21,-0.2 -0.951 23.3-175.8-119.6 118.3 19.2 28.4 27.9 174 175 A F E -e 152 0B 23 -23,-3.0 -21,-1.8 -2,-0.5 2,-0.5 -0.950 2.5-171.9-114.8 121.2 21.6 29.1 30.8 175 176 A S E -e 153 0B 0 -2,-0.5 -21,-0.2 -23,-0.2 3,-0.1 -0.936 18.0-152.4-114.6 130.1 20.2 29.4 34.4 176 177 A V E S+ 0 0 9 -23,-2.3 2,-0.4 -2,-0.5 -21,-0.2 0.921 84.4 22.6 -63.1 -44.7 22.4 30.5 37.2 177 178 A I E -e 155 0B 4 -23,-2.1 -21,-3.3 -24,-0.2 2,-0.4 -0.978 64.1-159.6-131.1 140.2 20.5 28.5 39.8 178 179 A R E e 156 0B 104 -2,-0.4 -21,-0.2 -23,-0.2 -23,-0.0 -0.949 360.0 360.0-116.2 134.1 18.2 25.5 39.6 179 180 A E 0 0 105 -23,-2.7 -21,-0.2 -2,-0.4 -171,-0.0 -0.302 360.0 360.0 -58.7 360.0 15.7 24.8 42.3