==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 28-APR-08 3CZA . COMPND 2 MOLECULE: PROTEIN DJ-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.C.WITT,M.LAKSHMINARASIMHAN,B.C.REMINGTON,S.HASHIM, . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.3 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 14 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 2 0 1 0 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 3 A S 0 0 129 0, 0.0 28,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 147.0 9.4 32.1 15.3 2 4 A K - 0 0 80 26,-0.1 28,-2.8 63,-0.1 2,-0.4 -0.426 360.0-139.7 -76.3 158.2 12.9 31.1 16.0 3 5 A R E -a 30 0A 59 26,-0.2 63,-1.5 -2,-0.1 64,-1.3 -0.959 11.8-162.8-128.8 138.6 13.6 27.8 17.8 4 6 A A E -ab 31 67A 0 26,-2.6 28,-2.9 -2,-0.4 2,-0.5 -0.973 7.6-155.1-123.4 136.6 16.1 26.9 20.5 5 7 A L E -ab 32 68A 1 62,-2.4 64,-3.3 -2,-0.4 2,-0.6 -0.964 11.0-169.0-106.7 118.4 17.3 23.4 21.6 6 8 A V E -ab 33 69A 1 26,-2.8 28,-2.9 -2,-0.5 2,-0.7 -0.955 13.4-146.7-109.8 118.4 18.6 23.4 25.2 7 9 A I E -a 34 0A 1 62,-2.2 2,-0.6 -2,-0.6 28,-0.2 -0.794 13.8-163.1 -94.2 117.5 20.3 20.1 26.1 8 10 A L E +a 35 0A 1 26,-3.0 28,-2.4 -2,-0.7 29,-0.4 -0.886 12.4 173.6-111.8 113.7 19.8 19.1 29.7 9 11 A A > - 0 0 3 -2,-0.6 3,-2.0 26,-0.2 67,-0.1 -0.821 43.9 -83.7-113.7 155.0 22.1 16.6 31.3 10 12 A K T 3 S+ 0 0 137 -2,-0.3 69,-0.3 1,-0.3 34,-0.2 -0.262 118.4 28.2 -53.5 134.5 22.4 15.3 34.9 11 13 A G T 3 S+ 0 0 9 32,-2.2 65,-1.5 1,-0.3 64,-0.4 0.466 84.6 149.4 85.2 4.8 24.6 17.7 36.8 12 14 A A < - 0 0 3 -3,-2.0 33,-3.2 64,-0.2 2,-0.7 -0.334 58.8-104.5 -60.5 148.6 23.8 20.7 34.7 13 15 A E > - 0 0 12 59,-1.9 4,-1.3 31,-0.2 59,-0.2 -0.675 28.8-150.9 -76.5 115.9 23.9 24.0 36.5 14 16 A E H > S+ 0 0 13 -2,-0.7 4,-2.9 1,-0.2 5,-0.3 0.816 94.0 50.9 -64.8 -31.7 20.2 24.8 37.0 15 17 A M H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.5 52.1 -69.1 -41.9 20.7 28.6 37.0 16 18 A D H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.763 117.2 40.9 -57.0 -31.1 22.7 28.3 33.7 17 19 A T H X S+ 0 0 3 -4,-1.3 4,-1.9 2,-0.1 -2,-0.2 0.901 116.6 42.6 -85.2 -54.9 19.8 26.3 32.3 18 20 A V H X S+ 0 0 67 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.880 107.2 57.6 -71.3 -38.2 16.7 28.1 33.6 19 21 A I H X S+ 0 0 32 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 0.974 111.7 41.8 -61.4 -50.9 17.8 31.7 33.0 20 22 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.916 115.1 51.1 -62.2 -39.9 18.4 31.2 29.2 21 23 A V H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.958 115.1 42.3 -58.9 -48.0 15.2 29.1 28.9 22 24 A D H X S+ 0 0 73 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.954 116.0 47.0 -67.2 -49.5 13.1 31.7 30.6 23 25 A V H X S+ 0 0 1 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.904 111.9 50.9 -62.7 -40.6 14.6 34.7 28.8 24 26 A M H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.3 3,-0.3 0.918 110.0 49.6 -62.5 -40.6 14.4 33.1 25.4 25 27 A R H ><5S+ 0 0 112 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.889 106.2 56.3 -66.0 -35.9 10.7 32.3 26.0 26 28 A R H 3<5S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 104.6 54.9 -60.0 -31.1 10.1 35.9 27.0 27 29 A A T 3<5S- 0 0 10 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.351 123.3-106.6 -81.8 1.5 11.6 36.8 23.6 28 30 A G T < 5S+ 0 0 43 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.650 70.6 147.6 77.6 16.3 9.0 34.6 21.8 29 31 A I < - 0 0 6 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.3 -0.629 53.0-124.2 -79.4 140.3 11.6 31.9 21.0 30 32 A K E -a 3 0A 128 -28,-2.8 -26,-2.6 -2,-0.3 2,-0.5 -0.802 35.9-164.9 -84.7 107.7 10.2 28.3 20.9 31 33 A V E -a 4 0A 12 -2,-0.8 2,-0.6 -28,-0.2 -26,-0.2 -0.857 14.4-163.8-105.1 130.0 12.4 26.6 23.4 32 34 A T E -a 5 0A 31 -28,-2.9 -26,-2.8 -2,-0.5 2,-0.9 -0.956 8.0-155.6-109.8 115.7 12.7 22.8 23.7 33 35 A V E -a 6 0A 8 -2,-0.6 20,-1.9 -28,-0.2 21,-1.4 -0.837 22.1-166.2 -86.2 108.2 14.3 21.6 26.9 34 36 A A E -ac 7 54A 0 -28,-2.9 -26,-3.0 -2,-0.9 2,-0.6 -0.874 16.7-133.7-109.1 125.6 15.6 18.2 25.8 35 37 A G E > -ac 8 55A 0 19,-2.7 21,-2.8 -2,-0.5 3,-1.2 -0.604 7.8-150.3 -78.8 119.6 16.8 15.6 28.3 36 38 A L T 3 S+ 0 0 37 -28,-2.4 21,-0.2 -2,-0.6 -1,-0.2 0.923 97.6 38.3 -49.3 -48.8 20.1 14.1 27.2 37 39 A A T 3 S- 0 0 108 -29,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.430 130.0 -70.9 -89.2 1.0 19.3 10.7 28.8 38 40 A G < - 0 0 24 -3,-1.2 -1,-0.2 16,-0.2 18,-0.1 -0.891 65.9 -55.6 135.0-170.5 15.6 10.6 28.0 39 41 A K S S+ 0 0 135 -2,-0.3 3,-0.1 16,-0.1 -1,-0.1 0.546 93.0 113.0 -88.8 -2.1 12.3 12.4 29.0 40 42 A D S S- 0 0 131 1,-0.1 -3,-0.1 11,-0.1 -2,-0.1 -0.205 81.6 -80.4 -70.6 157.5 12.7 11.6 32.8 41 43 A P - 0 0 75 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.225 45.8-133.4 -57.3 148.1 13.3 14.4 35.3 42 44 A V E -G 50 0B 17 8,-2.9 8,-2.2 -3,-0.1 2,-0.8 -0.898 2.8-140.7-113.0 127.2 16.9 15.7 35.5 43 45 A Q E -G 49 0B 87 -2,-0.5 -32,-2.2 6,-0.2 6,-0.2 -0.744 26.7-151.8 -86.9 108.7 18.8 16.2 38.8 44 46 A C > - 0 0 2 4,-2.8 3,-2.1 -2,-0.8 -31,-0.2 -0.180 31.4 -88.7 -78.3 174.1 20.8 19.4 38.4 45 47 A S T 3 S+ 0 0 41 -33,-3.2 -32,-0.1 1,-0.3 -1,-0.1 0.824 127.9 39.0 -55.5 -39.2 24.0 20.3 40.1 46 48 A R T 3 S- 0 0 167 -34,-0.3 -1,-0.3 2,-0.1 3,-0.1 -0.009 124.4 -98.8-106.3 28.4 22.4 21.9 43.2 47 49 A D S < S+ 0 0 109 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.439 73.9 145.0 73.8 4.2 19.6 19.3 43.3 48 50 A V - 0 0 73 -5,-0.1 -4,-2.8 1,-0.0 2,-0.6 -0.591 42.5-142.5 -66.5 135.6 16.9 21.2 41.5 49 51 A V E -G 43 0B 90 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.914 18.1-170.6-109.8 118.5 14.9 18.6 39.5 50 52 A I E -G 42 0B 30 -8,-2.2 -8,-2.9 -2,-0.6 -42,-0.0 -0.925 17.1-140.2-111.7 131.2 13.7 19.8 36.1 51 53 A C - 0 0 92 -2,-0.4 -11,-0.1 -10,-0.2 -18,-0.1 -0.806 25.9-133.5 -86.7 118.6 11.3 17.9 33.9 52 54 A P - 0 0 9 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.298 8.3-130.0 -68.2 158.3 12.4 18.1 30.3 53 55 A D S S- 0 0 69 -20,-1.9 2,-0.3 1,-0.2 -19,-0.2 0.779 85.9 -14.7 -69.6 -28.6 9.9 18.9 27.5 54 56 A A E S-c 34 0A 18 -21,-1.4 -19,-2.7 -16,-0.1 -1,-0.2 -0.965 77.8 -87.9-162.9 162.5 11.2 15.9 25.5 55 57 A S E > -c 35 0A 12 -2,-0.3 4,-2.7 -21,-0.2 -19,-0.2 -0.504 36.3-121.3 -72.0 155.9 14.0 13.5 25.2 56 58 A L H > S+ 0 0 3 -21,-2.8 4,-2.8 1,-0.2 5,-0.2 0.892 114.2 63.0 -62.2 -37.7 17.0 14.5 23.1 57 59 A E H 4 S+ 0 0 132 -22,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.910 112.5 34.6 -52.9 -45.0 16.3 11.4 21.0 58 60 A D H >4 S+ 0 0 93 2,-0.2 3,-1.0 1,-0.2 4,-0.4 0.891 115.9 53.9 -75.9 -43.4 12.9 12.9 20.0 59 61 A A H >< S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.844 100.4 61.0 -66.3 -29.5 13.9 16.6 19.9 60 62 A K G >< S+ 0 0 66 -4,-2.8 3,-0.7 1,-0.3 -1,-0.3 0.782 99.1 57.6 -71.7 -19.8 16.8 15.9 17.5 61 63 A K G < S+ 0 0 117 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.604 102.2 57.7 -79.8 -8.6 14.2 14.6 15.0 62 64 A E G < S+ 0 0 116 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.153 100.2 117.6-107.2 15.8 12.3 18.0 15.1 63 65 A G < + 0 0 31 -3,-0.7 2,-0.1 2,-0.1 -3,-0.0 -0.080 28.3 117.8 -80.8-161.4 15.1 20.2 14.1 64 66 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -61,-0.1 0.579 53.7-161.7 -80.6 164.8 16.9 22.1 12.9 65 67 A Y - 0 0 10 -2,-0.1 -61,-0.2 1,-0.1 3,-0.1 -0.814 25.8-132.8-109.5 148.1 17.1 24.7 15.5 66 68 A D S S+ 0 0 49 -63,-1.5 33,-1.2 -2,-0.3 2,-0.3 0.755 95.8 16.8 -74.1 -23.6 18.2 28.3 15.2 67 69 A V E -bd 4 99A 0 -64,-1.3 -62,-2.4 31,-0.1 2,-0.5 -0.982 62.2-154.6-145.5 141.8 20.4 27.9 18.3 68 70 A V E -bd 5 100A 2 31,-1.7 33,-2.7 -2,-0.3 2,-0.5 -0.986 22.3-156.5-109.0 125.2 21.7 24.9 20.3 69 71 A V E -bd 6 101A 1 -64,-3.3 -62,-2.2 -2,-0.5 33,-0.2 -0.916 10.3-165.6-112.2 128.4 22.4 25.8 23.9 70 72 A L E - d 0 102A 0 31,-2.7 33,-2.0 -2,-0.5 36,-0.1 -0.931 14.1-152.5-111.1 103.0 24.8 24.0 26.2 71 73 A P - 0 0 3 0, 0.0 -54,-0.1 0, 0.0 -57,-0.1 -0.218 16.1-121.5 -62.4 168.5 24.3 24.8 29.9 72 74 A G + 0 0 1 -59,-0.2 -59,-1.9 33,-0.1 32,-0.1 0.099 50.5 127.2 -94.0-152.4 27.2 24.6 32.3 73 75 A G > - 0 0 3 -61,-0.3 4,-2.9 3,-0.1 5,-0.3 0.419 63.6-112.0 92.6 120.5 27.8 22.7 35.5 74 76 A N H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.902 115.9 37.4 -44.9 -56.5 31.0 20.6 35.6 75 77 A L H > S+ 0 0 121 -64,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.883 115.4 54.1 -71.9 -40.8 29.3 17.2 35.5 76 78 A G H > S+ 0 0 1 -65,-1.5 4,-2.5 1,-0.2 -64,-0.2 0.946 109.6 47.7 -58.0 -47.0 26.6 18.3 33.1 77 79 A A H X S+ 0 0 1 -4,-2.9 4,-2.5 -66,-0.3 -1,-0.2 0.880 109.1 55.0 -62.3 -37.6 29.2 19.5 30.7 78 80 A Q H X S+ 0 0 77 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.928 108.5 48.1 -59.9 -46.6 31.1 16.2 31.1 79 81 A N H >X S+ 0 0 53 -4,-2.6 4,-0.6 -69,-0.3 3,-0.5 0.923 111.7 49.4 -62.1 -42.8 27.9 14.3 30.2 80 82 A L H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.915 109.6 53.1 -58.8 -40.4 27.4 16.6 27.1 81 83 A S H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.726 108.1 49.9 -66.4 -27.2 31.1 16.0 26.1 82 84 A E H << S+ 0 0 129 -4,-1.3 2,-0.5 -3,-0.5 -1,-0.2 0.441 88.9 103.9 -91.7 -4.8 30.7 12.2 26.2 83 85 A S S+ 0 0 79 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.836 95.6 56.9 -65.9 -34.4 27.6 10.9 20.5 85 87 A A H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 107.4 48.0 -64.6 -43.0 24.2 12.5 20.0 86 88 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.940 109.0 54.2 -61.7 -42.9 25.5 15.8 21.1 87 89 A K H X S+ 0 0 84 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.939 110.9 45.5 -54.3 -48.9 28.5 15.5 18.8 88 90 A E H X S+ 0 0 121 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.920 112.9 49.6 -64.6 -42.2 26.2 14.9 15.8 89 91 A I H X S+ 0 0 11 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.928 113.7 45.3 -63.2 -45.5 23.9 17.8 16.7 90 92 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.911 111.7 51.3 -66.7 -39.9 26.7 20.2 17.1 91 93 A K H X S+ 0 0 68 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.923 112.9 46.3 -62.1 -44.5 28.5 19.1 13.9 92 94 A E H X S+ 0 0 104 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.867 112.5 50.4 -67.9 -36.7 25.3 19.6 11.9 93 95 A Q H <>S+ 0 0 3 -4,-2.2 5,-2.7 -5,-0.2 4,-0.3 0.946 112.9 45.7 -65.2 -44.7 24.6 22.9 13.5 94 96 A E H ><5S+ 0 0 64 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.934 112.0 52.2 -61.5 -44.6 28.1 24.1 12.7 95 97 A N H 3<5S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 111.4 46.1 -66.1 -30.9 27.9 22.8 9.1 96 98 A R T 3<5S- 0 0 106 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.369 115.8-114.9 -93.2 6.7 24.6 24.6 8.5 97 99 A K T < 5 + 0 0 168 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.907 62.5 153.6 62.4 44.0 26.0 27.8 10.0 98 100 A G < - 0 0 7 -5,-2.7 -1,-0.2 -6,-0.1 -31,-0.1 -0.747 49.6 -93.6 -97.1 152.2 23.5 27.8 13.0 99 101 A L E -d 67 0A 8 -33,-1.2 -31,-1.7 -2,-0.3 2,-0.4 -0.393 32.7-164.6 -69.3 141.2 24.3 29.5 16.3 100 102 A I E -de 68 150A 2 49,-2.5 51,-2.7 -33,-0.2 2,-0.4 -0.999 7.6-171.9-125.8 126.3 25.8 27.5 19.1 101 103 A A E +de 69 151A 0 -33,-2.7 -31,-2.7 -2,-0.4 2,-0.3 -0.981 7.4 172.1-124.6 130.2 25.7 29.0 22.6 102 104 A A E -de 70 152A 0 49,-2.4 51,-1.3 -2,-0.4 2,-0.3 -1.000 10.2-161.3-143.9 140.3 27.5 27.6 25.7 103 105 A I E > - e 0 153A 0 -33,-2.0 3,-2.4 -2,-0.3 2,-0.5 -0.923 53.4 -21.6-128.1 147.4 28.0 28.9 29.2 104 106 A C T 3 S- 0 0 13 49,-1.9 20,-2.1 -2,-0.3 23,-0.1 -0.510 136.1 -6.5 65.9-104.7 30.3 28.3 32.2 105 107 A A T > S+ 0 0 8 -2,-0.5 3,-2.0 18,-0.2 4,-0.3 0.588 117.3 92.5 -90.7 -16.4 31.7 24.7 31.8 106 108 A G T X> S+ 0 0 0 -3,-2.4 3,-2.1 1,-0.3 4,-0.5 0.816 72.8 63.8 -49.7 -41.1 29.4 24.2 28.8 107 109 A P H >> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-1.2 0.754 85.8 73.7 -61.2 -20.9 32.0 25.3 26.2 108 110 A T H <> S+ 0 0 9 -3,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.741 87.6 62.7 -63.8 -23.4 34.3 22.4 27.1 109 111 A A H <> S+ 0 0 0 -3,-2.1 4,-1.8 -4,-0.3 -1,-0.3 0.776 96.6 58.7 -66.8 -29.8 31.8 20.2 25.2 110 112 A L H <<>S+ 0 0 0 -3,-1.2 5,-2.7 -4,-0.5 4,-0.4 0.929 106.4 47.7 -61.9 -42.1 32.7 22.2 22.1 111 113 A L H ><5S+ 0 0 32 -4,-1.2 3,-1.5 1,-0.2 -2,-0.2 0.948 109.9 51.9 -62.1 -48.1 36.3 21.1 22.6 112 114 A A H 3<5S+ 0 0 40 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 115.7 41.1 -56.7 -36.6 35.3 17.5 23.1 113 115 A H T 3<5S- 0 0 1 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.313 111.3-118.5 -97.8 8.0 33.3 17.5 19.9 114 116 A E T < 5 + 0 0 125 -3,-1.5 2,-0.4 -4,-0.4 3,-0.3 0.870 57.7 160.2 58.8 44.0 35.9 19.6 17.9 115 117 A I < - 0 0 0 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.812 55.3 -5.8-103.8 131.0 33.5 22.4 17.3 116 118 A G S > S- 0 0 7 -2,-0.4 3,-1.9 1,-0.2 -1,-0.2 0.751 75.1-174.3 68.5 27.0 34.4 26.0 16.3 117 119 A F T 3 + 0 0 80 -3,-0.3 20,-0.2 1,-0.2 -1,-0.2 -0.211 69.0 34.3 -55.2 140.7 38.2 25.6 16.6 118 120 A G T 3 S+ 0 0 59 18,-3.0 -1,-0.2 1,-0.3 19,-0.2 0.331 91.3 129.2 94.6 -6.6 40.0 28.9 16.1 119 121 A S < - 0 0 15 -3,-1.9 19,-2.2 17,-0.3 2,-0.5 -0.458 65.5-114.9 -78.2 152.5 37.2 30.9 17.8 120 122 A K E +h 138 0C 86 17,-0.2 2,-0.3 -2,-0.1 19,-0.2 -0.764 49.9 171.7 -78.8 129.1 37.5 33.4 20.6 121 123 A V E -h 139 0C 0 17,-2.5 19,-2.0 -2,-0.5 2,-0.3 -0.942 26.7-155.0-139.7 155.8 35.8 31.9 23.6 122 124 A T + 0 0 0 -2,-0.3 31,-0.3 17,-0.2 2,-0.3 -0.866 16.2 171.5-123.1 166.3 35.2 32.5 27.3 123 125 A T - 0 0 0 17,-0.4 -18,-0.2 -2,-0.3 31,-0.2 -0.909 50.1 -60.9-149.3 178.2 34.3 30.0 30.0 124 126 A H >> - 0 0 57 -20,-2.1 3,-2.1 -2,-0.3 4,-0.6 -0.462 57.6-113.6 -58.0 142.6 34.0 29.9 33.8 125 127 A P G >4 S+ 0 0 70 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.861 117.6 54.9 -48.2 -39.0 37.4 30.7 35.1 126 128 A L G 34 S+ 0 0 156 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.631 106.5 52.5 -74.1 -11.9 37.8 27.2 36.6 127 129 A A G <> S+ 0 0 10 -3,-2.1 4,-2.4 1,-0.1 -1,-0.2 0.413 81.7 94.3 -98.8 -3.5 37.1 25.7 33.1 128 130 A K H 4 S+ 0 0 112 -4,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.942 113.9 47.9 -62.1 -47.5 40.2 22.3 30.2 131 133 A M H 3< S+ 0 0 0 -4,-2.4 5,-0.3 1,-0.2 -1,-0.2 0.848 112.7 49.4 -60.0 -36.9 39.0 24.5 27.4 132 134 A M T >< S+ 0 0 52 -4,-2.4 3,-2.6 -5,-0.2 2,-0.4 0.399 74.2 129.6 -90.2 2.5 42.5 25.6 26.4 133 135 A N T < S+ 0 0 120 -3,-1.1 3,-0.3 -4,-0.5 -3,-0.0 -0.429 85.5 10.7 -62.8 115.1 44.0 22.1 26.3 134 136 A G T 3 S- 0 0 55 -2,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.292 111.8 -99.7 95.1 -7.1 45.8 21.9 23.0 135 137 A G S < S+ 0 0 53 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.1 0.810 74.6 144.0 68.9 33.1 45.4 25.6 22.2 136 138 A H + 0 0 77 -3,-0.3 -18,-3.0 -5,-0.3 -17,-0.3 0.529 63.1 36.0 -87.8 -8.1 42.4 25.2 19.9 137 139 A Y S S- 0 0 4 -20,-0.2 2,-0.5 -19,-0.2 -17,-0.2 -0.888 79.9-119.4-132.3 162.8 40.6 28.4 20.9 138 140 A T E -h 120 0C 86 -19,-2.2 -17,-2.5 -2,-0.3 2,-0.2 -0.937 37.3-126.2-106.2 129.4 41.7 31.9 21.9 139 141 A Y E -h 121 0C 33 -2,-0.5 2,-0.3 -19,-0.2 -17,-0.2 -0.531 25.4-174.2 -88.3 147.1 40.6 32.8 25.4 140 142 A S - 0 0 8 -19,-2.0 -17,-0.4 -2,-0.2 5,-0.1 -0.970 24.1-155.8-132.6 145.8 38.7 35.8 26.5 141 143 A E + 0 0 143 -2,-0.3 -19,-0.1 -19,-0.1 13,-0.1 0.272 56.3 124.8-104.4 10.6 37.7 37.2 29.9 142 144 A N S S- 0 0 89 1,-0.1 3,-0.1 -21,-0.1 -2,-0.1 -0.329 71.2-122.9 -68.1 151.1 34.7 39.1 28.5 143 145 A R S S+ 0 0 125 1,-0.2 11,-1.2 10,-0.1 2,-0.3 0.867 100.5 18.3 -66.8 -35.7 31.5 38.2 30.3 144 146 A V E S-F 153 0A 36 9,-0.2 2,-0.4 10,-0.1 -1,-0.2 -0.991 74.4-170.1-131.8 134.9 29.9 37.2 26.9 145 147 A E E -F 152 0A 25 7,-2.7 7,-2.6 -2,-0.3 2,-0.4 -0.975 3.5-176.2-124.7 138.0 32.0 36.4 23.8 146 148 A K E +F 151 0A 98 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.965 7.7 174.7-136.8 121.4 30.7 35.9 20.3 147 149 A D E > -F 150 0A 74 3,-2.5 3,-2.0 -2,-0.4 2,-0.2 -0.934 68.8 -62.0-127.1 100.4 32.9 34.9 17.4 148 150 A G T 3 S- 0 0 47 -2,-0.5 -49,-0.0 1,-0.3 -1,-0.0 -0.370 122.0 -9.4 57.6-121.1 30.6 34.4 14.4 149 151 A L T 3 S+ 0 0 72 -2,-0.2 -49,-2.5 -3,-0.1 2,-0.6 0.249 117.2 90.4 -93.8 9.9 28.3 31.5 15.3 150 152 A I E < +eF 100 147A 11 -3,-2.0 -3,-2.5 -51,-0.2 2,-0.5 -0.929 53.9 180.0-107.6 113.8 30.1 30.5 18.6 151 153 A L E +eF 101 146A 1 -51,-2.7 -49,-2.4 -2,-0.6 2,-0.3 -0.955 7.0 172.7-120.6 116.8 28.6 32.4 21.6 152 154 A T E -eF 102 145A 0 -7,-2.6 -7,-2.7 -2,-0.5 2,-0.3 -0.802 10.3-176.5-127.0 161.5 30.1 31.7 25.0 153 155 A S E -eF 103 144A 0 -51,-1.3 -49,-1.9 -31,-0.3 -29,-0.2 -0.949 24.9-121.3-156.2 170.5 29.8 33.1 28.5 154 156 A R - 0 0 42 -11,-1.2 -10,-0.1 -2,-0.3 -1,-0.1 0.840 61.7 -38.3 -97.4 -40.1 31.2 32.7 32.0 155 157 A G S > S- 0 0 6 -12,-0.2 3,-2.0 -31,-0.1 4,-0.4 -0.964 71.3 -60.9-172.3-176.2 28.9 31.7 34.8 156 158 A P G > S+ 0 0 41 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.897 126.2 56.9 -54.2 -41.2 25.6 32.1 36.6 157 159 A G G 3 S+ 0 0 60 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.571 109.8 44.2 -67.9 -11.7 26.2 35.8 37.1 158 160 A T G <> S+ 0 0 6 -3,-2.0 4,-2.5 2,-0.1 -1,-0.3 0.297 85.2 101.9-110.3 6.3 26.7 36.3 33.4 159 161 A S H <> S+ 0 0 0 -3,-1.6 4,-2.8 -4,-0.4 5,-0.2 0.844 78.9 50.1 -62.1 -39.7 23.6 34.2 32.4 160 162 A F H > S+ 0 0 70 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.935 112.4 47.8 -64.2 -46.0 21.2 37.1 31.8 161 163 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.909 113.6 49.0 -59.4 -44.8 23.8 38.8 29.5 162 164 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.943 112.5 46.7 -57.5 -52.3 24.3 35.4 27.7 163 165 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 112.1 49.9 -62.3 -41.7 20.6 34.9 27.3 164 166 A L H X S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.836 107.0 55.7 -68.5 -30.4 20.1 38.4 26.0 165 167 A A H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.886 108.1 48.5 -65.3 -39.2 23.0 37.9 23.5 166 168 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.943 111.7 50.0 -63.0 -47.7 21.2 34.8 22.2 167 169 A V H X>S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.7 0.932 111.3 48.7 -56.1 -47.4 17.9 36.9 21.9 168 170 A E H X5S+ 0 0 87 -4,-2.7 4,-1.5 3,-0.2 -1,-0.2 0.917 111.0 50.0 -61.5 -43.5 19.8 39.7 20.1 169 171 A A H <5S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 123.0 30.5 -62.2 -38.2 21.3 37.2 17.7 170 172 A L H <5S+ 0 0 17 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.911 137.5 17.5 -87.1 -45.8 18.0 35.5 16.8 171 173 A N H <5S- 0 0 54 -4,-3.5 4,-0.4 -5,-0.3 -3,-0.2 0.423 107.4-108.6-117.9 -2.3 15.4 38.3 17.2 172 174 A G X< - 0 0 28 -4,-1.5 4,-2.0 -5,-0.7 -1,-0.2 -0.080 33.8 -69.5 99.2 167.9 17.4 41.5 17.1 173 175 A K H > S+ 0 0 156 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.854 123.9 54.8 -64.5 -40.8 18.5 44.4 19.4 174 176 A E H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 108.9 46.8 -66.7 -43.6 15.0 45.9 19.9 175 177 A V H > S+ 0 0 38 -4,-0.4 4,-2.6 1,-0.2 5,-0.3 0.930 111.6 52.5 -62.5 -41.9 13.5 42.6 21.2 176 178 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.925 110.6 47.5 -58.3 -43.0 16.5 42.1 23.5 177 179 A A H X S+ 0 0 56 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.890 111.6 50.3 -63.3 -41.0 16.0 45.6 24.9 178 180 A Q H < S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.4 44.8 -64.5 -42.2 12.3 45.0 25.4 179 181 A V H < S+ 0 0 14 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.862 110.7 56.4 -68.8 -37.6 12.9 41.7 27.2 180 182 A K H ><>S+ 0 0 104 -4,-2.3 3,-1.7 -5,-0.3 5,-0.5 0.882 93.1 67.0 -63.4 -41.3 15.7 43.2 29.3 181 183 A A G ><5S+ 0 0 76 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.910 99.1 47.5 -57.2 -48.0 13.7 46.1 30.9 182 184 A P G 3 5S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.627 98.0 73.2 -71.5 -6.0 11.3 44.0 33.0 183 185 A L G < 5S- 0 0 34 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.1 0.702 97.3-133.5 -77.1 -16.2 14.1 41.9 34.4 184 186 A V T < 5 - 0 0 132 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.1 0.936 37.4-179.5 61.9 52.1 15.4 44.7 36.6 185 187 A L < 0 0 59 -5,-0.5 -1,-0.2 -4,-0.2 -2,-0.0 -0.586 360.0 360.0 -85.2 151.2 19.1 44.2 35.5 186 188 A K 0 0 230 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.975 360.0 360.0 -86.3 360.0 21.9 46.3 36.9