==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 11-MAY-12 4F4Y . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS, SULFOLOBUS . AUTHOR J.D.PATA,R.C.WILSON . 686 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 52 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 31.3 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 0 2 2 3 3 3 1 2 0 0 0 1 1 1 3 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 0 1 7 0 2 2 0 2 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 4 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 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 M 0 0 76 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 142.3 0.1 13.7 79.8 2 2 A I - 0 0 9 2,-0.0 109,-2.4 143,-0.0 110,-0.5 -0.947 360.0-170.6-124.3 111.5 2.7 11.3 78.3 3 3 A V E -AB 110 146A 0 143,-2.8 143,-1.9 -2,-0.5 2,-0.6 -0.848 12.8-162.9-110.5 132.6 2.8 11.2 74.5 4 4 A I E -AB 109 145A 0 105,-2.6 105,-1.8 -2,-0.4 2,-0.4 -0.927 10.7-162.5-114.1 107.6 4.6 8.8 72.3 5 5 A F E -AB 108 144A 0 139,-2.6 139,-2.3 -2,-0.6 2,-0.4 -0.731 4.3-161.0 -89.6 134.0 5.0 9.9 68.7 6 6 A V E +AB 107 143A 0 101,-2.8 101,-2.0 -2,-0.4 2,-0.4 -0.970 12.4 175.2-125.2 131.4 5.9 7.3 66.1 7 7 A D E -AB 106 142A 4 135,-2.3 135,-2.9 -2,-0.4 2,-0.8 -0.963 28.3-129.9-144.0 111.9 7.4 8.1 62.7 8 8 A F > - 0 0 1 97,-1.7 3,-1.5 -2,-0.4 133,-0.2 -0.519 30.1-116.0 -79.8 104.2 8.5 5.4 60.2 9 9 A D T 3 S- 0 0 2 -2,-0.8 5,-0.2 1,-0.2 131,-0.2 0.112 85.1 -23.6 -38.1 134.6 12.1 6.0 58.9 10 10 A Y T >> S- 0 0 40 3,-0.1 4,-2.4 4,-0.1 3,-0.5 0.697 88.9-166.6 24.4 49.8 12.2 6.7 55.1 11 11 A F H <> + 0 0 7 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.646 68.9 37.6 -38.1 -68.3 8.9 4.8 55.0 12 12 A F H 3> S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 121.5 46.8 -55.1 -49.5 8.1 3.9 51.3 13 13 A A H <> S+ 0 0 0 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.910 111.2 52.2 -56.5 -46.5 11.8 3.2 50.5 14 14 A Q H X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.868 107.7 50.8 -64.0 -37.4 12.2 1.1 53.7 15 15 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.888 107.1 55.1 -63.2 -39.1 9.2 -1.1 52.8 16 16 A E H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.847 108.3 49.1 -63.1 -31.0 10.7 -1.5 49.4 17 17 A E H < S+ 0 0 4 -4,-1.6 7,-0.3 2,-0.2 -2,-0.2 0.860 108.4 52.3 -74.6 -35.9 13.8 -2.8 51.3 18 18 A V H < S+ 0 0 34 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.920 115.5 41.8 -63.9 -41.3 11.8 -5.2 53.4 19 19 A L H < S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.784 131.2 25.4 -75.9 -29.5 10.2 -6.6 50.3 20 20 A N >< - 0 0 41 -4,-1.6 3,-2.4 -5,-0.2 4,-0.3 -0.705 66.7-178.5-136.4 84.4 13.5 -6.7 48.3 21 21 A P G > S+ 0 0 80 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.619 76.3 76.4 -65.5 -12.5 16.5 -6.9 50.7 22 22 A Q G 3 S+ 0 0 126 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.752 89.6 61.6 -62.5 -22.5 18.9 -6.8 47.8 23 23 A Y G X S+ 0 0 51 -3,-2.4 3,-1.3 -7,-0.2 -1,-0.2 0.724 82.0 105.9 -76.5 -25.3 18.1 -3.0 47.8 24 24 A K T < S+ 0 0 91 -3,-0.9 -10,-0.0 -4,-0.3 0, 0.0 -0.185 79.9 18.4 -58.3 145.2 19.4 -2.4 51.3 25 25 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.413 111.2 85.9 77.0 -4.6 22.7 -0.6 51.9 26 26 A K S < S- 0 0 130 -3,-1.3 24,-0.3 46,-0.0 23,-0.2 -0.894 96.6 -81.4-121.8 155.1 22.6 0.9 48.4 27 27 A P - 0 0 18 0, 0.0 45,-2.7 0, 0.0 2,-0.4 -0.365 51.5-178.5 -57.9 126.7 20.9 4.0 47.2 28 28 A L E -e 72 0B 0 43,-0.2 19,-1.9 -2,-0.1 2,-0.5 -0.993 8.4-165.2-130.1 135.3 17.2 3.3 46.5 29 29 A V E -eF 73 46B 0 43,-3.6 45,-2.6 -2,-0.4 2,-0.7 -0.975 10.4-151.2-129.2 122.5 14.7 5.9 45.2 30 30 A V E -eF 74 45B 0 15,-2.6 14,-2.8 -2,-0.5 15,-2.1 -0.838 27.4-174.9 -95.2 113.9 10.9 5.5 45.3 31 31 A C E -eF 75 43B 0 43,-3.0 45,-2.4 -2,-0.7 2,-0.7 -0.756 29.5-138.7-114.9 149.6 9.4 7.4 42.4 32 32 A V E - F 0 42B 62 10,-3.4 10,-2.0 -2,-0.3 2,-0.4 -0.914 26.2-158.4-104.7 105.5 6.0 8.3 41.2 33 33 A Y E - F 0 41B 78 -2,-0.7 8,-0.3 8,-0.2 7,-0.1 -0.710 11.0-163.0 -87.9 133.9 6.0 7.9 37.4 34 34 A S - 0 0 37 6,-2.2 217,-0.2 -2,-0.4 7,-0.1 0.719 35.1-123.3 -87.1 -22.5 3.4 9.8 35.5 35 35 A G S S+ 0 0 64 5,-0.7 6,-0.1 2,-0.4 3,-0.1 0.510 81.5 111.5 89.9 5.1 3.7 7.8 32.3 36 36 A R S S- 0 0 62 4,-0.2 2,-0.2 1,-0.1 5,-0.0 0.976 92.2 -8.9 -66.6 -59.2 4.5 10.8 30.0 37 37 A T S S- 0 0 68 3,-0.0 -2,-0.4 1,-0.0 -1,-0.1 -0.565 83.9 -88.9-123.4-171.2 8.0 9.7 29.4 38 38 A K S S+ 0 0 168 -2,-0.2 -2,-0.0 1,-0.2 -3,-0.0 0.789 127.9 26.8 -70.9 -28.9 10.4 7.0 30.8 39 39 A T S S+ 0 0 39 -6,-0.0 23,-0.4 2,-0.0 22,-0.3 0.510 85.8 124.6-114.7 -8.6 11.6 9.5 33.5 40 40 A S + 0 0 16 21,-0.1 -6,-2.2 20,-0.1 -5,-0.7 -0.365 52.3 67.1 -60.2 119.3 8.6 11.8 33.9 41 41 A G E S-F 33 0B 25 -8,-0.3 20,-1.6 -2,-0.2 2,-0.3 -0.975 72.0 -85.8 158.7-167.6 7.6 11.8 37.6 42 42 A A E -FG 32 60B 38 -10,-2.0 -10,-3.4 -2,-0.3 2,-0.6 -0.967 30.8-106.1-141.1 150.7 8.7 12.7 41.1 43 43 A V E -F 31 0B 4 16,-3.4 15,-3.3 -2,-0.3 -12,-0.3 -0.621 28.4-179.8 -76.1 116.2 10.7 11.3 44.0 44 44 A A E - 0 0 32 -14,-2.8 2,-0.3 -2,-0.6 -13,-0.2 0.891 66.5 -31.2 -80.7 -45.6 8.3 10.2 46.7 45 45 A T E -F 30 0B 17 -15,-2.1 -15,-2.6 12,-0.1 -1,-0.3 -0.984 53.6-153.0-162.7 171.2 11.1 9.1 49.0 46 46 A A E -F 29 0B 1 -2,-0.3 -17,-0.2 -17,-0.2 -32,-0.1 -0.994 25.0-111.8-150.2 148.2 14.6 7.8 49.2 47 47 A N > - 0 0 0 -19,-1.9 4,-1.7 -2,-0.3 3,-0.2 -0.196 45.0 -98.8 -68.8 174.3 16.7 5.7 51.6 48 48 A Y H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.782 121.2 62.6 -71.7 -25.8 19.6 7.5 53.4 49 49 A E H > S+ 0 0 67 -23,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.932 109.6 41.4 -59.1 -46.2 22.2 6.1 51.0 50 50 A A H 4>S+ 0 0 0 -24,-0.3 5,-1.9 -22,-0.2 3,-0.5 0.840 110.8 56.7 -70.9 -34.6 20.4 8.0 48.2 51 51 A R H ><5S+ 0 0 91 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.810 98.3 62.0 -68.4 -29.6 20.0 11.0 50.4 52 52 A K H 3<5S+ 0 0 175 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.852 101.8 52.5 -60.5 -34.6 23.7 11.2 50.9 53 53 A L T 3<5S- 0 0 88 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.523 130.2 -96.6 -81.4 -7.0 24.0 11.7 47.1 54 54 A G T < 5S+ 0 0 33 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.385 71.3 149.9 109.7 -1.8 21.6 14.6 47.3 55 55 A V < - 0 0 2 -5,-1.9 2,-0.3 12,-0.1 -1,-0.3 -0.475 24.9-173.6 -63.2 126.5 18.4 12.9 46.3 56 56 A K > - 0 0 159 -2,-0.2 3,-1.5 -11,-0.1 -13,-0.2 -0.947 28.9-101.4-125.4 149.0 15.5 14.7 48.1 57 57 A A T 3 S+ 0 0 70 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.399 106.8 30.7 -66.4 143.5 11.8 14.0 48.3 58 58 A G T 3 S+ 0 0 64 -15,-3.3 -1,-0.2 1,-0.3 -14,-0.1 0.174 91.0 127.4 96.1 -15.3 9.7 16.0 46.0 59 59 A M < - 0 0 26 -3,-1.5 -16,-3.4 -16,-0.1 -1,-0.3 -0.405 68.8 -98.1 -81.0 148.6 12.4 16.3 43.3 60 60 A P B > -G 42 0B 64 0, 0.0 4,-1.6 0, 0.0 -18,-0.3 -0.338 30.3-124.5 -60.1 146.5 11.9 15.3 39.7 61 61 A I H > S+ 0 0 1 -20,-1.6 4,-2.5 -22,-0.3 3,-0.4 0.932 109.2 54.0 -58.2 -50.0 13.1 11.9 38.8 62 62 A I H > S+ 0 0 90 -23,-0.4 4,-0.9 1,-0.3 -1,-0.2 0.835 107.6 52.7 -57.3 -32.2 15.4 13.0 36.0 63 63 A K H > S+ 0 0 126 -3,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.861 108.5 48.0 -73.8 -37.5 17.1 15.4 38.5 64 64 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.4 -2,-0.2 0.889 108.7 56.5 -67.4 -37.9 17.8 12.7 41.0 65 65 A M H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.726 101.0 58.2 -67.0 -24.7 19.2 10.6 38.2 66 66 A Q H < S+ 0 0 132 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.935 117.7 29.8 -66.5 -44.9 21.6 13.4 37.4 67 67 A I H < S+ 0 0 80 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.699 134.7 30.4 -91.1 -21.5 23.2 13.3 40.9 68 68 A A >< + 0 0 1 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.2 -0.403 65.6 158.2-134.0 63.1 22.6 9.6 41.6 69 69 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.725 77.1 49.9 -59.3 -24.5 22.7 7.8 38.3 70 70 A S T 3 S+ 0 0 113 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.396 84.2 112.1-101.0 1.2 23.5 4.4 39.9 71 71 A A S < S- 0 0 9 -3,-1.7 2,-0.6 -7,-0.1 -43,-0.2 -0.257 77.9-104.9 -62.2 159.2 20.7 4.5 42.5 72 72 A I E -e 28 0B 67 -45,-2.7 -43,-3.6 -49,-0.1 2,-0.8 -0.839 33.0-156.6 -89.3 120.6 17.9 2.0 42.2 73 73 A Y E +e 29 0B 37 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.843 17.3 176.8-104.3 103.8 14.8 3.7 40.9 74 74 A V E -e 30 0B 10 -45,-2.6 -43,-3.0 -2,-0.8 2,-0.1 -0.800 30.3-111.6-111.1 147.2 11.5 1.9 41.8 75 75 A P E -e 31 0B 76 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.452 40.7-101.9 -72.1 143.6 7.9 2.8 41.2 76 76 A M - 0 0 58 -45,-2.4 2,-0.4 -2,-0.1 -43,-0.1 -0.438 29.3-167.7 -65.6 134.0 5.7 3.7 44.2 77 77 A R >> + 0 0 96 -2,-0.1 4,-1.4 1,-0.1 3,-0.9 -0.712 10.6 175.6-122.0 76.5 3.4 0.9 45.3 78 78 A K H 3> S+ 0 0 99 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.830 70.5 62.7 -54.6 -41.1 1.1 2.8 47.7 79 79 A P H 3> S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 105.8 47.2 -53.7 -38.5 -1.3 -0.2 48.5 80 80 A I H <> S+ 0 0 51 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.929 111.4 48.5 -69.5 -44.9 1.6 -2.2 50.1 81 81 A Y H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.850 110.6 54.4 -63.9 -34.7 2.8 0.7 52.2 82 82 A E H X S+ 0 0 79 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.929 108.3 47.6 -61.8 -47.9 -0.8 1.2 53.2 83 83 A A H X S+ 0 0 36 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.933 111.9 50.0 -59.3 -45.3 -1.0 -2.4 54.4 84 84 A F H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.933 111.4 49.1 -57.8 -49.5 2.3 -2.1 56.3 85 85 A S H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.944 109.0 53.0 -53.0 -54.6 1.1 1.1 57.9 86 86 A N H X S+ 0 0 98 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.922 110.5 46.2 -49.6 -52.6 -2.2 -0.6 58.9 87 87 A R H X S+ 0 0 100 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.939 113.7 48.6 -60.4 -44.4 -0.4 -3.5 60.6 88 88 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.923 110.8 49.6 -63.1 -44.4 2.0 -1.3 62.4 89 89 A M H X S+ 0 0 12 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.860 108.1 55.2 -59.8 -37.1 -0.8 1.0 63.7 90 90 A N H X S+ 0 0 91 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.932 107.2 49.8 -62.4 -41.8 -2.6 -2.0 64.8 91 91 A L H >< S+ 0 0 14 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.918 111.6 49.1 -58.9 -42.6 0.5 -3.0 66.8 92 92 A L H >X S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.2 4,-1.0 0.857 99.8 65.6 -66.2 -36.2 0.6 0.5 68.3 93 93 A N H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.776 94.1 60.0 -59.5 -28.2 -3.1 0.5 69.3 94 94 A K T << S+ 0 0 127 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.582 107.8 45.5 -77.1 -10.7 -2.5 -2.3 71.8 95 95 A H T <4 S+ 0 0 19 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 0.630 101.6 76.0-104.8 -20.2 -0.0 -0.1 73.7 96 96 A A < - 0 0 13 -4,-1.0 15,-0.2 1,-0.2 3,-0.2 -0.653 62.2-148.6-101.7 149.6 -1.9 3.2 73.9 97 97 A D S S+ 0 0 55 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.920 100.6 4.8 -65.7 -50.1 -4.8 4.4 75.9 98 98 A K E S-C 110 0A 93 12,-1.2 12,-2.9 -3,-0.1 2,-0.4 -0.994 70.6-160.8-135.4 143.9 -5.5 6.5 72.8 99 99 A I E -C 109 0A 19 -2,-0.3 2,-0.6 10,-0.2 10,-0.2 -0.980 3.5-163.4-124.1 139.0 -3.9 6.6 69.3 100 100 A E E -C 108 0A 0 8,-2.8 8,-2.1 -2,-0.4 2,-1.4 -0.926 11.5-152.7-119.1 103.2 -4.2 9.3 66.8 101 101 A V E -C 107 0A 57 -2,-0.6 6,-0.3 6,-0.2 3,-0.1 -0.641 12.8-176.5 -78.7 95.5 -3.1 8.1 63.3 102 102 A A E - 0 0 21 -2,-1.4 2,-0.3 4,-0.7 5,-0.2 0.740 63.7 -42.6 -65.3 -26.6 -1.9 11.5 61.9 103 103 A S E > S-C 106 0A 47 3,-1.9 3,-0.9 -3,-0.1 -1,-0.2 -0.962 74.0 -63.6-179.8-178.9 -1.3 9.6 58.6 104 104 A I T 3 S+ 0 0 45 -2,-0.3 -15,-0.1 1,-0.3 3,-0.1 0.743 131.4 42.9 -47.6 -26.2 -0.1 6.5 56.7 105 105 A D T 3 S+ 0 0 37 1,-0.2 -97,-1.7 -98,-0.1 2,-0.3 0.689 116.9 21.7-102.9 -20.5 3.3 7.5 58.1 106 106 A E E < -AC 7 103A 35 -3,-0.9 -3,-1.9 -99,-0.2 -4,-0.7 -0.988 48.4-177.2-156.9 158.8 2.8 8.5 61.7 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-2.8 -2,-0.3 2,-0.4 -0.989 20.3-131.5-154.5 155.3 0.8 8.4 64.8 108 108 A Y E -AC 5 100A 14 -8,-2.1 -8,-2.8 -2,-0.3 2,-0.5 -0.910 18.5-161.3-111.0 139.8 0.6 9.7 68.4 109 109 A L E -AC 4 99A 0 -105,-1.8 -105,-2.6 -2,-0.4 2,-0.8 -0.970 11.5-148.2-124.3 118.9 -0.1 7.4 71.4 110 110 A D E +AC 3 98A 18 -12,-2.9 -13,-2.8 -2,-0.5 -12,-1.2 -0.776 27.2 165.1 -81.6 114.5 -1.3 8.6 74.7 111 111 A V > + 0 0 0 -109,-2.4 4,-2.9 -2,-0.8 5,-0.3 0.230 32.6 118.3-113.9 11.2 0.3 6.2 77.2 112 112 A T T 4>S+ 0 0 30 -110,-0.5 5,-2.8 1,-0.2 6,-0.2 0.882 84.4 33.3 -49.6 -55.1 -0.3 8.2 80.4 113 113 A N T >45S+ 0 0 51 3,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.891 115.1 59.9 -69.4 -41.4 -2.4 5.6 82.2 114 114 A K T 345S+ 0 0 97 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.900 116.0 32.8 -50.4 -47.7 -0.6 2.7 80.6 115 115 A V T ><5S- 0 0 11 -4,-2.9 3,-1.7 -113,-0.1 -1,-0.3 0.343 111.8-124.9 -94.9 4.4 2.7 3.8 82.2 116 116 A E T < 5 - 0 0 83 -3,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.828 66.7 -55.2 57.4 39.5 0.8 5.1 85.2 117 117 A G T 3 - 0 0 70 -3,-1.7 4,-1.1 -6,-0.2 -1,-0.2 -0.541 38.4-169.8 -73.5 98.8 5.7 7.3 85.1 119 119 A F H > S+ 0 0 17 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.829 84.7 57.0 -57.9 -35.9 7.5 9.1 82.2 120 120 A E H > S+ 0 0 84 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.929 105.6 48.5 -63.8 -45.3 10.5 6.9 82.5 121 121 A N H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.721 107.0 60.3 -65.1 -19.4 8.4 3.8 82.0 122 122 A G H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.903 105.1 45.8 -70.7 -43.9 7.0 5.7 79.1 123 123 A I H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 113.3 49.6 -62.0 -46.2 10.5 5.9 77.6 124 124 A E H X S+ 0 0 109 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.917 109.3 51.8 -59.6 -43.5 11.0 2.2 78.3 125 125 A L H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.890 106.5 54.8 -58.7 -40.7 7.6 1.4 76.7 126 126 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.899 107.4 50.0 -59.4 -41.7 8.8 3.4 73.6 127 127 A R H X S+ 0 0 136 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.912 109.8 50.4 -60.6 -43.8 11.9 1.2 73.5 128 128 A K H X S+ 0 0 88 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.887 110.4 51.0 -62.4 -37.4 9.6 -1.9 73.6 129 129 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.927 110.8 46.3 -66.4 -49.2 7.5 -0.4 70.8 130 130 A K H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.955 114.4 50.0 -53.0 -52.2 10.5 0.2 68.6 131 131 A Q H X S+ 0 0 108 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.892 111.9 47.3 -54.3 -45.0 11.7 -3.3 69.4 132 132 A E H X S+ 0 0 20 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.932 110.7 49.2 -69.4 -48.6 8.4 -4.9 68.6 133 133 A I H X>S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 6,-1.0 0.901 113.7 49.0 -55.6 -40.6 7.9 -3.1 65.3 134 134 A L H X5S+ 0 0 89 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.927 113.4 46.3 -64.2 -44.6 11.4 -4.1 64.3 135 135 A E H <5S+ 0 0 121 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.915 122.7 32.0 -64.6 -46.7 10.8 -7.7 65.3 136 136 A K H <5S+ 0 0 130 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.889 135.4 20.0 -83.5 -41.8 7.4 -8.2 63.6 137 137 A E H <5S- 0 0 26 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.544 87.9-129.2-111.3 -7.6 7.7 -5.9 60.5 138 138 A K << + 0 0 129 -4,-1.2 2,-0.4 -5,-0.6 -4,-0.2 0.686 66.1 133.9 64.0 19.9 11.4 -5.4 60.1 139 139 A I - 0 0 0 -6,-1.0 2,-0.3 -9,-0.1 -1,-0.2 -0.864 47.8-147.0-104.0 130.3 10.7 -1.7 59.9 140 140 A T - 0 0 28 -2,-0.4 2,-0.3 -131,-0.2 -131,-0.2 -0.745 22.0-178.3 -92.3 145.1 12.8 0.8 61.9 141 141 A V - 0 0 2 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.905 25.5-122.4-136.3 166.6 11.1 3.9 63.2 142 142 A T E -B 7 0A 0 -135,-2.9 -135,-2.3 -2,-0.3 2,-0.4 -0.919 27.7-158.6-110.1 140.3 11.9 7.1 65.1 143 143 A V E -Bd 6 164A 0 20,-2.0 22,-2.2 -2,-0.4 2,-0.5 -0.937 9.2-159.4-123.1 137.6 10.0 7.9 68.4 144 144 A G E -Bd 5 165A 0 -139,-2.3 -139,-2.6 -2,-0.4 2,-0.5 -0.971 5.5-166.7-111.9 131.5 9.4 11.1 70.3 145 145 A V E +Bd 4 166A 0 20,-2.0 22,-2.4 -2,-0.5 -141,-0.2 -0.980 30.1 133.4-116.2 124.7 8.6 11.0 74.0 146 146 A A E -B 3 0A 0 -143,-1.9 -143,-2.8 -2,-0.5 22,-0.1 -0.973 67.3 -98.1-161.1 164.1 7.2 14.2 75.4 147 147 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.381 104.0 21.7 -76.1 6.4 4.5 15.7 77.6 148 148 A N S > S- 0 0 8 -145,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.972 83.9 -99.6-159.0 174.5 2.5 16.7 74.5 149 149 A K H > S+ 0 0 9 87,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.960 115.0 45.9 -61.1 -57.1 1.9 16.1 70.8 150 150 A I H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 113.1 47.6 -57.4 -50.8 4.0 18.9 69.4 151 151 A L H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.872 111.1 52.8 -60.5 -38.8 7.0 18.4 71.6 152 152 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.922 111.3 46.9 -62.1 -45.1 7.0 14.7 70.8 153 153 A K H X S+ 0 0 40 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.937 112.8 48.6 -60.1 -48.5 6.9 15.5 67.1 154 154 A I H X S+ 0 0 9 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.913 113.4 45.1 -62.8 -45.5 9.7 18.1 67.3 155 155 A I H < S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 113.5 53.7 -70.6 -26.1 12.1 15.9 69.3 156 156 A A H >< S+ 0 0 0 -4,-1.6 3,-2.4 -5,-0.3 4,-0.3 0.970 107.7 46.1 -68.5 -54.4 11.2 13.0 67.0 157 157 A D H 3< S+ 0 0 74 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.655 109.1 58.5 -66.4 -12.6 12.1 14.8 63.8 158 158 A K T 3< S+ 0 0 98 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.318 106.8 49.4 -93.1 6.5 15.3 16.0 65.4 159 159 A S S < S+ 0 0 36 -3,-2.4 -2,-0.2 4,-0.1 -1,-0.2 0.304 86.9 174.0-130.0 5.5 16.3 12.4 66.0 160 160 A K + 0 0 81 -4,-0.3 2,-0.1 -3,-0.3 4,-0.0 -0.371 42.0 38.2 -70.7 146.4 15.9 10.7 62.6 161 161 A P S S- 0 0 59 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.641 129.6 -19.4 -99.8 169.8 16.5 8.0 61.6 162 162 A N S S+ 0 0 90 1,-0.2 -20,-0.2 -2,-0.1 -2,-0.1 0.769 100.2 149.6 55.8 30.8 16.0 5.0 64.0 163 163 A G - 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