==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEOXYRIBONUCLEASE 18-SEP-97 1AVQ . COMPND 2 MOLECULE: LAMBDA EXONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE LAMBDA; . AUTHOR R.A.KOVALL,B.W.MATTHEWS . 681 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 7.6 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 . 3 0.4 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 . 17 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 1 4 0 0 3 0 3 0 0 0 3 0 3 0 0 0 0 0 3 0 2 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 8 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 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 S 0 0 129 0, 0.0 111,-3.1 0, 0.0 112,-0.3 0.000 360.0 360.0 360.0 150.7 36.2 136.8 107.9 2 0 A H - 0 0 149 109,-0.2 109,-0.1 110,-0.1 2,-0.1 -0.452 360.0-117.2 -72.3 132.1 40.0 137.2 107.4 3 1 A M - 0 0 35 106,-0.3 109,-0.1 -2,-0.2 -1,-0.1 -0.382 34.6-176.7 -72.0 142.7 41.9 134.9 105.2 4 2 A T >> - 0 0 53 -2,-0.1 4,-1.8 107,-0.1 3,-0.7 -0.991 39.6-119.8-137.6 155.4 44.7 132.8 106.8 5 3 A P H 3> S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 11,-0.3 0.785 114.1 63.5 -59.2 -31.5 47.2 130.4 105.5 6 4 A D H 3> S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.878 101.2 49.0 -62.3 -42.1 45.5 127.9 107.6 7 5 A I H <> S+ 0 0 35 -3,-0.7 4,-3.0 2,-0.2 5,-0.3 0.931 112.5 47.2 -65.0 -46.4 42.4 128.2 105.7 8 6 A I H X>S+ 0 0 8 -4,-1.8 4,-2.7 1,-0.2 6,-0.8 0.920 111.7 51.1 -63.0 -42.6 44.1 127.8 102.3 9 7 A L H X5S+ 0 0 75 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.918 113.2 43.4 -62.6 -41.6 46.1 124.9 103.4 10 8 A Q H <5S+ 0 0 156 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.942 118.4 43.8 -74.2 -40.6 43.0 123.0 104.8 11 9 A R H <5S+ 0 0 120 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.826 135.3 12.6 -72.8 -27.8 40.8 123.8 101.8 12 10 A T H <5S- 0 0 16 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.436 91.0-121.0-128.1 -7.3 43.4 123.1 99.1 13 11 A G << + 0 0 58 -4,-1.6 2,-0.4 -5,-0.6 -4,-0.2 0.543 69.3 131.1 78.4 5.0 46.3 121.4 100.7 14 12 A I - 0 0 23 -6,-0.8 2,-1.0 11,-0.1 -1,-0.2 -0.750 55.6-138.5-100.1 142.2 48.7 124.1 99.6 15 13 A D >> - 0 0 79 -2,-0.4 3,-2.5 1,-0.2 4,-0.7 -0.788 13.7-163.5 -95.2 99.6 51.2 126.0 101.7 16 14 A V G >4 S+ 0 0 18 -2,-1.0 3,-2.0 1,-0.3 -1,-0.2 0.885 84.4 63.1 -51.8 -42.7 51.0 129.6 100.7 17 15 A R G 34 S+ 0 0 193 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.773 103.2 48.7 -60.0 -15.8 54.2 130.4 102.2 18 16 A A G <4 S+ 0 0 57 -3,-2.5 -1,-0.3 2,-0.0 -2,-0.2 0.572 86.6 114.3 -98.1 -4.3 56.0 128.2 99.8 19 17 A V << - 0 0 13 -3,-2.0 2,-0.4 -4,-0.7 88,-0.0 -0.406 46.3-165.2 -68.6 144.1 54.3 129.4 96.8 20 18 A E > - 0 0 136 -2,-0.1 3,-3.3 85,-0.1 6,-0.3 -0.990 36.4 -88.6-127.8 136.8 56.3 131.3 94.2 21 19 A Q T 3 S+ 0 0 61 -2,-0.4 3,-0.1 1,-0.3 4,-0.1 -0.079 117.4 14.6 -41.7 134.7 54.9 133.4 91.2 22 20 A G T 3 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.1 5,-0.1 0.209 95.6 138.2 81.3 -18.9 54.2 131.2 88.2 23 21 A D S <> S- 0 0 49 -3,-3.3 4,-1.4 1,-0.1 -1,-0.2 0.053 71.2-107.6 -41.9 173.7 54.5 127.9 90.4 24 22 A D H > S+ 0 0 144 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.969 123.3 48.1 -74.2 -43.3 52.1 125.2 89.8 25 23 A A H > S+ 0 0 19 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.796 103.4 60.9 -60.9 -38.3 50.4 126.1 93.1 26 24 A W H 4 S+ 0 0 28 -6,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.898 108.9 43.2 -55.1 -45.7 50.3 129.6 92.2 27 25 A H H >X S+ 0 0 94 -4,-1.4 3,-1.4 -3,-0.5 4,-0.9 0.922 112.8 50.9 -66.7 -49.2 48.2 128.8 89.1 28 26 A K H >< S+ 0 0 79 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.955 103.4 59.1 -57.0 -47.1 45.9 126.4 90.9 29 27 A L T 3< S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 105.6 51.9 -55.9 -19.0 45.2 129.0 93.6 30 28 A R T X4 S+ 0 0 45 -3,-1.4 3,-2.0 -4,-0.4 -1,-0.3 0.598 77.6 120.3 -95.0 -14.1 43.9 131.3 90.9 31 29 A L T << S+ 0 0 15 -3,-1.6 3,-0.1 -4,-0.9 195,-0.1 -0.291 88.3 0.7 -56.7 126.1 41.4 128.9 89.3 32 30 A G T 3 S+ 0 0 0 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.313 104.6 122.4 85.3 -10.4 37.9 130.3 89.4 33 31 A V < - 0 0 2 -3,-2.0 2,-0.8 83,-0.0 -1,-0.3 -0.607 66.7-118.7 -92.8 149.9 38.9 133.5 91.2 34 32 A I E -a 116 0A 2 81,-2.3 83,-2.7 -2,-0.2 2,-0.2 -0.766 41.3-171.1 -87.3 108.2 38.4 137.1 90.2 35 33 A T E >> -a 117 0A 7 -2,-0.8 4,-1.3 81,-0.2 3,-1.1 -0.587 35.1-113.4-103.2 158.0 41.8 138.6 89.8 36 34 A A T 34 S+ 0 0 4 81,-0.8 3,-0.5 1,-0.3 4,-0.4 0.912 112.5 63.4 -60.9 -38.5 43.1 142.1 89.3 37 35 A S T 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 122,-0.1 0.835 116.2 27.0 -59.3 -28.3 44.4 141.3 85.9 38 36 A E T X4 S+ 0 0 74 -3,-1.1 3,-2.0 1,-0.1 4,-0.4 0.536 86.7 99.8-113.3 -3.4 40.9 140.5 84.6 39 37 A V G >X + 0 0 0 -4,-1.3 4,-2.4 -3,-0.5 3,-0.6 0.700 66.4 80.9 -56.8 -20.1 38.5 142.5 86.7 40 38 A H G 34 S+ 0 0 52 -4,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.817 89.7 53.9 -54.8 -32.6 38.3 145.0 83.9 41 39 A N G X4 S+ 0 0 14 -3,-2.0 3,-0.8 2,-0.2 -1,-0.3 0.838 104.5 55.8 -68.2 -37.0 35.9 142.7 82.3 42 40 A V T <4 S+ 0 0 0 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.882 110.1 43.1 -69.4 -40.0 33.7 142.6 85.4 43 41 A I T 3< S+ 0 0 29 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.492 85.0 125.9 -91.3 9.7 33.2 146.1 85.6 44 42 A A < - 0 0 18 -3,-0.8 -3,-0.1 -5,-0.2 12,-0.0 -0.346 43.5-156.4 -65.2 140.0 32.6 146.7 82.0 45 43 A K - 0 0 141 7,-0.1 2,-0.1 -2,-0.1 7,-0.1 -0.899 15.9-120.7-125.5 150.6 29.4 148.5 81.0 46 44 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.511 34.8-112.8 -76.4 150.7 27.2 148.8 78.0 47 45 A R S S- 0 0 208 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.802 100.5 -5.0 -47.6 -35.9 26.8 152.3 76.6 48 46 A S S S+ 0 0 80 3,-0.1 2,-0.3 0, 0.0 3,-0.3 -0.972 113.3 38.5-155.9 154.0 23.2 152.1 77.7 49 47 A G S S- 0 0 64 -2,-0.3 3,-0.0 1,-0.2 0, 0.0 -0.687 80.9 -92.4 102.8-159.2 21.1 149.3 79.2 50 48 A K S S+ 0 0 201 -2,-0.3 2,-0.2 -5,-0.1 -1,-0.2 0.198 74.6 128.7-145.4 3.3 22.0 146.7 81.7 51 49 A K - 0 0 168 -3,-0.3 -3,-0.1 1,-0.1 0, 0.0 -0.466 65.8-111.6 -68.2 133.7 23.0 144.0 79.4 52 50 A W - 0 0 68 -2,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.513 36.3-120.4 -68.7 127.7 26.4 142.4 80.2 53 51 A P >> - 0 0 33 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.187 24.4-105.9 -65.4 153.1 28.9 143.3 77.4 54 52 A D H 3> S+ 0 0 140 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.808 121.0 52.9 -47.1 -41.6 30.5 140.5 75.4 55 53 A M H 3> S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.875 110.6 49.6 -65.5 -37.1 33.8 140.9 77.2 56 54 A K H <> S+ 0 0 15 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.939 111.9 45.2 -65.6 -50.9 31.9 140.5 80.3 57 55 A M H X S+ 0 0 59 -4,-2.7 4,-2.7 1,-0.3 5,-0.2 0.894 112.4 55.9 -60.5 -36.4 30.0 137.4 79.3 58 56 A S H X S+ 0 0 47 -4,-2.3 4,-1.5 -5,-0.4 -1,-0.3 0.892 106.4 44.5 -68.7 -39.3 33.0 136.0 78.0 59 57 A Y H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.876 109.7 59.6 -74.7 -28.9 35.0 136.3 81.1 60 58 A F H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.986 106.6 45.6 -58.6 -51.5 32.1 134.9 83.0 61 59 A H H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.856 111.0 55.3 -58.6 -34.5 32.2 131.7 80.9 62 60 A T H X S+ 0 0 41 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.922 108.1 45.9 -64.4 -45.2 35.9 131.5 81.3 63 61 A L H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.893 113.5 50.7 -64.9 -43.7 35.8 131.6 85.1 64 62 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.3 3,-0.4 0.921 106.9 52.7 -62.8 -47.3 33.0 129.0 85.2 65 63 A A H X S+ 0 0 4 -4,-2.3 4,-1.4 -5,-0.3 5,-0.4 0.824 103.1 57.4 -62.3 -30.1 34.7 126.7 83.0 66 64 A E H X S+ 0 0 34 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.892 107.5 50.8 -64.6 -35.8 37.8 126.8 85.3 67 65 A V H < S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.940 114.6 40.7 -62.7 -51.4 35.6 125.6 88.1 68 66 A C H < S+ 0 0 0 -4,-2.3 343,-2.6 1,-0.2 344,-0.4 0.600 126.3 32.5 -81.0 -10.7 34.1 122.7 86.2 69 67 A T H < S- 0 0 4 -4,-1.4 -1,-0.2 341,-0.2 -2,-0.2 0.589 89.3-140.1-111.2 -30.2 37.4 121.5 84.5 70 68 A G S < S+ 0 0 20 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.1 0.762 71.6 86.2 75.1 15.1 39.9 122.5 87.1 71 69 A V - 0 0 77 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.925 59.0-151.7-137.7 173.5 42.4 123.7 84.4 72 70 A A - 0 0 51 -2,-0.3 2,-0.1 -3,-0.1 -41,-0.0 -0.985 19.7-124.4-147.6 133.3 43.1 126.8 82.4 73 71 A P - 0 0 110 0, 0.0 2,-0.3 0, 0.0 293,-0.0 -0.299 27.4-115.3 -69.3 164.7 44.7 127.2 79.0 74 72 A E - 0 0 140 -2,-0.1 2,-0.4 6,-0.0 3,-0.2 -0.791 24.8-162.2-103.1 142.4 47.8 129.3 78.3 75 73 A V - 0 0 98 -2,-0.3 5,-0.3 1,-0.2 0, 0.0 -0.979 67.2 -4.6-132.3 138.0 47.9 132.4 76.1 76 74 A N > - 0 0 105 -2,-0.4 4,-2.2 1,-0.1 -1,-0.2 0.981 68.4-173.7 46.0 61.3 50.8 134.1 74.5 77 75 A A H > S+ 0 0 34 1,-0.2 4,-3.2 -3,-0.2 5,-0.2 0.899 75.2 60.1 -48.0 -45.1 53.0 131.8 76.2 78 76 A K H > S+ 0 0 132 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.902 106.4 42.4 -55.6 -49.4 56.0 133.9 74.9 79 77 A A H > S+ 0 0 34 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.925 114.8 53.2 -65.8 -39.4 55.1 137.1 76.5 80 78 A L H X S+ 0 0 84 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.917 110.9 45.8 -54.9 -53.2 54.2 135.2 79.7 81 79 A A H X S+ 0 0 56 -4,-3.2 4,-3.2 2,-0.2 -1,-0.2 0.920 111.9 52.1 -59.4 -46.5 57.5 133.6 79.7 82 80 A W H X S+ 0 0 46 -4,-2.8 4,-1.8 1,-0.2 5,-0.3 0.978 112.2 44.9 -53.2 -60.3 59.3 136.9 79.0 83 81 A G H X S+ 0 0 23 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.885 113.8 50.9 -54.8 -37.2 57.5 138.6 81.9 84 82 A K H < S+ 0 0 120 -4,-2.2 3,-0.4 -5,-0.3 4,-0.3 0.958 109.6 50.0 -70.8 -38.7 58.2 135.7 84.1 85 83 A Q H < S+ 0 0 124 -4,-3.2 3,-0.4 1,-0.2 4,-0.3 0.843 114.3 40.9 -63.4 -35.8 61.9 135.6 83.3 86 84 A Y H X S+ 0 0 44 -4,-1.8 4,-3.4 1,-0.2 5,-0.2 0.482 84.0 98.1 -99.3 -4.8 62.7 139.3 83.9 87 85 A E H X S+ 0 0 25 -4,-0.9 4,-2.4 -3,-0.4 -1,-0.2 0.826 83.9 46.1 -52.8 -41.3 60.7 139.9 86.9 88 86 A N H > S+ 0 0 94 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.895 111.9 51.9 -73.3 -38.3 63.6 139.5 89.4 89 87 A D H > S+ 0 0 76 -4,-0.3 4,-2.1 1,-0.2 5,-0.3 0.937 112.2 48.0 -57.5 -50.3 65.8 141.7 87.3 90 88 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.922 109.5 51.6 -58.6 -48.6 63.1 144.2 87.4 91 89 A R H X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.949 110.6 46.0 -54.6 -55.1 62.5 144.0 91.1 92 90 A T H X S+ 0 0 81 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.869 113.0 49.7 -61.0 -36.8 66.0 144.5 92.2 93 91 A L H X S+ 0 0 62 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.909 110.5 52.3 -71.3 -33.6 66.5 147.5 89.8 94 92 A F H X>S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 5,-0.5 0.947 107.1 52.0 -61.7 -43.3 63.3 149.0 91.1 95 93 A E H X5S+ 0 0 40 -4,-2.6 4,-1.6 1,-0.2 5,-0.4 0.948 112.2 46.6 -59.9 -41.9 64.6 148.6 94.7 96 94 A F H <5S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.935 116.4 42.5 -63.1 -52.9 67.7 150.4 93.8 97 95 A T H <5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 122.2 36.3 -64.0 -40.0 66.1 153.2 92.0 98 96 A S H <5S- 0 0 27 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.714 99.8-132.1 -85.2 -28.0 63.2 153.9 94.3 99 97 A G << + 0 0 61 -4,-1.6 2,-0.3 -5,-0.5 -3,-0.2 0.630 62.8 122.0 86.0 12.1 65.2 153.2 97.3 100 98 A V - 0 0 21 -6,-0.4 2,-0.4 -5,-0.4 -1,-0.3 -0.723 60.8-116.0-111.8 167.6 62.6 151.0 98.9 101 99 A N - 0 0 95 -2,-0.3 24,-2.8 -3,-0.1 2,-0.5 -0.742 26.5-151.6 -98.7 141.1 62.7 147.6 100.1 102 100 A V E -C 124 0B 8 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.944 9.8-170.9-120.7 135.8 60.6 144.9 98.6 103 101 A T E -C 123 0B 73 20,-2.5 20,-3.0 -2,-0.5 2,-0.3 -0.825 28.0-110.9-115.0 147.9 59.1 141.8 99.9 104 102 A E - 0 0 121 -2,-0.3 18,-0.1 18,-0.2 17,-0.1 -0.604 26.3-175.9 -91.5 139.7 57.3 139.0 98.0 105 103 A S - 0 0 17 15,-0.5 17,-0.1 -2,-0.3 3,-0.1 -0.741 9.5-164.3-142.9 90.4 53.7 138.1 98.1 106 104 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.797 66.8 -27.0 -17.1 -95.8 52.4 135.3 96.2 107 105 A I - 0 0 11 12,-0.2 2,-0.4 -91,-0.1 12,-0.3 -0.959 55.4-154.1-137.7 146.4 48.6 135.8 96.2 108 106 A I E -B 118 0A 42 10,-3.6 10,-2.3 -2,-0.3 2,-0.3 -0.982 6.0-151.2-136.1 128.6 46.3 137.7 98.4 109 107 A Y E -B 117 0A 14 -2,-0.4 -106,-0.3 8,-0.2 8,-0.2 -0.748 16.7-136.4 -96.2 143.7 42.6 137.0 98.9 110 108 A R S S- 0 0 49 6,-2.3 2,-0.3 -2,-0.3 7,-0.1 0.785 80.2 -18.2 -65.8 -27.7 40.2 139.7 99.9 111 109 A D S > S- 0 0 48 5,-0.3 3,-1.6 -109,-0.1 -109,-0.2 -0.942 82.6 -72.8-164.0-178.4 38.4 137.4 102.5 112 110 A E T 3 S+ 0 0 68 -111,-3.1 -110,-0.1 1,-0.3 -108,-0.1 0.689 112.9 77.7 -63.5 -14.2 37.8 133.9 103.7 113 111 A S T 3 S- 0 0 37 -112,-0.3 -1,-0.3 1,-0.1 -111,-0.1 0.735 85.2-146.0 -69.6 -20.7 35.6 133.3 100.7 114 112 A M < + 0 0 0 -3,-1.6 -2,-0.1 2,-0.1 -1,-0.1 0.718 65.8 115.0 60.2 21.3 38.4 132.8 98.2 115 113 A R S S+ 0 0 21 1,-0.2 -81,-2.3 -82,-0.1 2,-0.4 0.601 72.0 39.5 -91.1 -21.3 36.4 134.5 95.4 116 114 A T E +a 34 0A 4 -83,-0.2 -6,-2.3 -5,-0.2 -5,-0.3 -0.996 69.3 143.4-135.3 131.9 38.6 137.6 94.9 117 115 A A E -aB 35 109A 0 -83,-2.7 -81,-0.8 -2,-0.4 2,-0.3 -0.986 27.1-148.8-160.0 172.8 42.3 138.0 94.9 118 116 A C E - 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0 0 14 -4,-3.2 3,-1.6 1,-0.2 4,-1.2 -0.138 62.0 -6.7 56.2-147.9 53.6 157.9 82.0 149 147 A F G >4 S+ 0 0 90 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.931 134.3 52.1 -39.0 -68.2 50.2 157.5 83.7 150 148 A E G 34 S+ 0 0 184 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.685 104.5 62.2 -56.2 -14.3 48.0 158.6 81.0 151 149 A A G <4 S+ 0 0 21 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.858 81.7 97.0 -76.9 -39.9 49.8 156.1 78.8 152 150 A I S << S- 0 0 22 -4,-1.2 5,-0.1 -3,-1.0 2,-0.0 -0.362 80.6-120.2 -60.2 114.2 48.6 153.3 81.0 153 151 A K >> - 0 0 119 -2,-0.3 3,-3.2 1,-0.1 4,-1.3 -0.221 22.7-108.4 -58.6 136.0 45.5 151.6 79.6 154 152 A S H 3> S+ 0 0 88 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.705 118.2 62.1 -25.8 -50.2 42.3 151.4 81.6 155 153 A A H 3> S+ 0 0 13 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.854 105.2 50.1 -52.7 -41.7 42.8 147.6 82.2 156 154 A Y H <> S+ 0 0 69 -3,-3.2 4,-2.2 2,-0.2 -1,-0.3 0.833 109.2 48.9 -66.6 -40.7 45.9 148.6 84.0 157 155 A M H X S+ 0 0 34 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.933 112.1 48.0 -67.2 -41.8 44.2 151.2 86.1 158 156 A A H X S+ 0 0 2 -4,-3.3 4,-3.4 1,-0.2 5,-0.3 0.948 111.6 52.0 -61.7 -40.9 41.5 148.8 87.1 159 157 A Q H X S+ 0 0 26 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.873 111.3 46.3 -58.8 -41.2 44.1 146.2 87.9 160 158 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.925 114.5 46.9 -71.2 -40.4 45.9 148.6 90.1 161 159 A Q H X S+ 0 0 3 -4,-3.0 4,-2.7 1,-0.2 3,-0.3 0.926 109.9 52.7 -67.6 -43.7 42.7 149.8 91.8 162 160 A Y H X S+ 0 0 0 -4,-3.4 4,-3.2 -5,-0.3 5,-0.3 0.899 104.6 56.4 -58.9 -39.0 41.5 146.3 92.4 163 161 A S H X S+ 0 0 4 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.873 110.5 45.8 -60.4 -34.1 44.8 145.3 94.0 164 162 A M H X>S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.3 5,-0.9 0.933 111.2 51.5 -74.7 -40.1 44.3 148.2 96.4 165 163 A W H <5S+ 0 0 11 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.921 113.7 44.9 -56.8 -52.4 40.6 147.1 97.0 166 164 A V H <5S+ 0 0 1 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.928 124.6 31.6 -59.7 -47.2 41.7 143.6 97.8 167 165 A T H <5S- 0 0 23 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.598 99.3-129.4 -90.2 -12.6 44.6 144.5 100.0 168 166 A R T <5 + 0 0 122 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.859 54.8 146.4 65.7 36.9 43.2 147.7 101.5 169 167 A K < - 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k 0 404D 19 -2,-0.7 2,-0.2 42,-0.2 44,-0.2 -0.837 3.2-177.1-120.3 103.2 29.4 117.6 66.3 362 131 B K E - k 0 405D 42 42,-2.0 44,-2.7 -2,-0.6 -2,-0.0 -0.600 24.9-155.7 -94.9 152.2 32.1 120.0 67.5 363 132 B C - 0 0 16 -2,-0.2 44,-0.1 42,-0.2 -51,-0.1 -0.852 32.6-141.8-116.9 81.2 34.9 119.8 70.1 364 133 B P - 0 0 16 0, 0.0 6,-0.1 0, 0.0 41,-0.0 -0.244 6.3-133.3 -49.6 141.1 35.4 123.5 70.8 365 134 B F S S+ 0 0 99 1,-0.1 2,-0.4 42,-0.0 3,-0.0 0.820 90.5 49.2 -69.4 -36.9 39.0 124.6 71.4 366 135 B T S >> S- 0 0 33 1,-0.1 4,-1.5 -293,-0.0 3,-0.6 -0.878 73.4-141.6-107.8 139.4 38.2 126.6 74.5 367 136 B S H 3> S+ 0 0 17 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.860 100.4 69.9 -61.8 -30.4 36.2 125.3 77.4 368 137 B R H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 99.3 45.9 -54.4 -45.8 34.7 128.9 77.6 369 138 B D H <> S+ 0 0 44 -3,-0.6 4,-2.0 2,-0.2 5,-0.3 0.906 108.9 55.5 -64.7 -44.1 32.8 128.4 74.3 370 139 B F H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.962 109.9 46.8 -50.3 -50.8 31.6 125.0 75.5 371 140 B M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.3 0.857 105.4 61.2 -59.1 -41.1 30.2 126.7 78.6 372 141 B K H X S+ 0 0 70 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.943 112.9 34.4 -50.1 -53.5 28.6 129.3 76.4 373 142 B F H X S+ 0 0 8 -4,-2.0 4,-2.9 -3,-0.2 -2,-0.2 0.932 112.5 60.6 -69.9 -45.6 26.5 126.8 74.6 374 143 B R H < S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 117.3 31.3 -51.3 -40.1 25.9 124.5 77.6 375 144 B L H < S+ 0 0 34 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.704 129.3 32.7 -93.9 -30.2 24.3 127.3 79.4 376 145 B G H >< S- 0 0 43 -4,-2.0 3,-0.7 -5,-0.3 4,-0.2 0.540 81.8-174.1-109.1 -1.3 22.6 129.4 76.7 377 146 B G G >< + 0 0 14 -4,-2.9 3,-2.3 1,-0.2 4,-0.3 0.012 60.9 1.9 46.6-140.9 21.7 126.7 74.2 378 147 B F G > S+ 0 0 97 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.794 129.5 52.3 -35.3 -59.0 20.2 127.8 70.8 379 148 B E G < S+ 0 0 176 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.625 106.5 60.1 -67.1 -8.1 20.3 131.5 71.2 380 149 B A G < S+ 0 0 17 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.3 0.383 77.1 107.6 -93.0 -11.5 24.0 131.1 72.1 381 150 B I S < S- 0 0 19 -3,-1.7 5,-0.1 -4,-0.3 -3,-0.0 -0.650 77.7-111.8 -76.0 122.8 25.0 129.5 68.8 382 151 B K >> - 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