==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAY-02 1LMH . COMPND 2 MOLECULE: PROTEIN (S.AUREUS PEPTIDE DEFORMYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR E.T.BALDWIN,M.S.HARRIS . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 16.3 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 . 2 1.1 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 . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 1 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 . 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 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 X 0 0 123 0, 0.0 2,-0.2 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 152.2 34.1 33.5 29.6 2 2 A L + 0 0 28 34,-0.3 2,-0.2 2,-0.0 64,-0.0 -0.597 360.0 173.9 -83.0 147.1 31.4 31.5 31.3 3 3 A T >> - 0 0 27 -2,-0.2 3,-2.1 52,-0.0 4,-0.6 -0.788 50.7 -75.9-139.8-175.4 29.2 33.3 33.8 4 4 A X G >4 S+ 0 0 33 49,-0.5 3,-0.9 1,-0.3 50,-0.1 0.799 123.4 65.9 -58.4 -28.9 26.1 32.6 35.9 5 5 A K G 34 S+ 0 0 190 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.652 98.3 54.7 -70.2 -10.1 23.9 33.0 32.8 6 6 A D G <4 S+ 0 0 66 -3,-2.1 2,-0.7 2,-0.1 -1,-0.3 0.657 88.6 91.6 -91.6 -19.6 25.5 29.8 31.4 7 7 A I S << S- 0 0 5 -3,-0.9 59,-0.2 -4,-0.6 2,-0.1 -0.680 72.1-145.2 -81.2 111.8 24.7 27.8 34.4 8 8 A I - 0 0 22 57,-2.2 2,-0.2 -2,-0.7 59,-0.1 -0.471 19.5-131.9 -75.1 149.7 21.3 26.0 34.0 9 9 A R > - 0 0 79 1,-0.1 3,-2.4 -2,-0.1 105,-0.2 -0.676 31.9 -68.7-109.0 160.4 19.2 25.7 37.1 10 10 A D T 3 S+ 0 0 71 103,-3.5 -1,-0.1 1,-0.3 105,-0.1 -0.092 120.0 43.5 -40.7 123.6 17.3 23.0 38.9 11 11 A G T 3 S+ 0 0 69 1,-0.5 -1,-0.3 -3,-0.1 5,-0.0 -0.016 79.6 120.0 121.9 -27.1 14.3 22.1 36.7 12 12 A H X - 0 0 60 -3,-2.4 3,-1.6 1,-0.1 -1,-0.5 -0.563 65.9-134.5 -71.9 127.5 16.2 22.1 33.4 13 13 A P G > S+ 0 0 90 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.794 99.2 67.2 -53.1 -33.9 15.9 18.6 31.9 14 14 A T G > S+ 0 0 14 1,-0.3 3,-1.0 2,-0.2 147,-0.1 0.801 91.5 62.7 -61.4 -27.4 19.6 18.3 31.0 15 15 A L G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 4,-0.1 0.674 105.8 46.4 -71.7 -15.5 20.4 18.2 34.8 16 16 A R G < S+ 0 0 110 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.316 94.7 93.0-108.9 7.2 18.5 15.0 35.1 17 17 A Q S < S- 0 0 98 -3,-1.0 2,-0.7 -4,-0.3 145,-0.1 -0.456 83.2-105.5 -93.2 170.3 19.8 13.1 32.0 18 18 A K - 0 0 145 142,-0.2 142,-0.2 -2,-0.1 141,-0.1 -0.887 40.0-124.3 -98.9 114.2 22.8 10.7 32.0 19 19 A A - 0 0 3 140,-2.4 51,-0.3 -2,-0.7 2,-0.2 -0.205 28.1-110.0 -56.7 146.5 25.7 12.5 30.4 20 20 A A B -a 70 0A 57 49,-2.3 51,-2.4 1,-0.1 72,-0.1 -0.560 29.7-104.5 -85.0 143.5 27.3 10.8 27.4 21 21 A E - 0 0 126 -2,-0.2 2,-0.3 49,-0.2 -1,-0.1 -0.301 37.3-120.3 -60.8 143.4 30.7 9.1 27.4 22 22 A L - 0 0 12 49,-0.3 2,-0.4 48,-0.0 -1,-0.1 -0.687 15.2-136.4 -89.8 141.1 33.5 11.1 25.7 23 23 A E - 0 0 159 -2,-0.3 4,-0.1 2,-0.1 69,-0.0 -0.803 40.0 -95.5 -93.0 137.1 35.3 9.6 22.7 24 24 A L S S+ 0 0 47 -2,-0.4 2,-0.1 2,-0.1 112,-0.1 -0.831 102.5 45.5-103.3 143.6 39.1 10.3 22.9 25 25 A P S S- 0 0 105 0, 0.0 -2,-0.1 0, 0.0 111,-0.1 0.537 91.4-131.0 -73.9 157.0 40.8 12.3 21.7 26 26 A L - 0 0 10 109,-0.4 -2,-0.1 -2,-0.1 2,-0.0 -0.371 23.9-108.8 -70.7 153.7 38.4 15.2 22.6 27 27 A T > - 0 0 70 -4,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.304 31.8-103.5 -76.1 168.5 37.6 17.6 19.8 28 28 A K H > S+ 0 0 159 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 123.8 51.0 -58.1 -44.4 39.0 21.2 19.9 29 29 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 107.6 51.1 -61.6 -42.6 35.6 22.5 21.1 30 30 A E H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 111.1 48.8 -64.6 -38.2 35.4 19.9 23.9 31 31 A K H X S+ 0 0 46 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.929 110.6 49.8 -66.3 -44.5 38.8 20.9 25.1 32 32 A E H X S+ 0 0 110 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.862 111.3 51.4 -61.8 -34.7 38.0 24.6 25.0 33 33 A T H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.936 110.4 46.1 -66.7 -48.7 34.8 23.8 26.9 34 34 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.890 113.7 49.5 -62.8 -39.4 36.6 21.9 29.7 35 35 A I H X S+ 0 0 87 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.895 110.9 50.4 -66.5 -38.6 39.3 24.6 29.9 36 36 A A H X S+ 0 0 31 -4,-2.0 4,-2.0 -5,-0.2 -34,-0.3 0.838 106.5 55.6 -67.2 -34.8 36.5 27.2 30.2 37 37 A X H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.931 110.8 43.7 -63.8 -45.4 34.8 25.2 32.9 38 38 A R H X S+ 0 0 69 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.922 111.5 54.4 -64.9 -42.7 38.0 25.2 35.0 39 39 A E H X S+ 0 0 80 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.853 103.8 56.6 -59.2 -35.9 38.5 28.9 34.2 40 40 A F H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.925 107.6 47.4 -61.7 -44.9 35.0 29.6 35.5 41 41 A L H X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 17,-0.3 0.917 110.6 52.6 -62.8 -41.9 35.9 28.0 38.8 42 42 A V H >< S+ 0 0 45 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.962 113.2 43.6 -57.1 -53.4 39.1 30.1 38.9 43 43 A N H >< S+ 0 0 15 -4,-2.9 3,-1.2 1,-0.2 7,-0.5 0.879 109.2 56.7 -61.0 -39.7 37.1 33.3 38.3 44 44 A S H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.2 49.2 -63.9 -25.8 34.4 32.3 40.8 45 45 A Q T << S+ 0 0 62 -4,-1.5 2,-0.7 -3,-0.7 -1,-0.3 0.478 90.4 89.9 -91.8 -4.8 37.2 32.0 43.5 46 46 A D <> - 0 0 70 -3,-1.2 4,-3.3 -4,-0.5 5,-0.3 -0.853 69.5-150.6 -95.4 113.2 38.7 35.4 42.7 47 47 A E H > S+ 0 0 167 -2,-0.7 4,-1.9 1,-0.2 5,-0.2 0.889 93.8 45.0 -49.3 -48.9 37.0 37.9 44.9 48 48 A E H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 118.4 40.7 -63.3 -53.5 37.5 40.8 42.5 49 49 A I H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 114.2 52.5 -63.2 -43.6 36.4 38.9 39.3 50 50 A A H <>S+ 0 0 11 -4,-3.3 5,-2.6 -7,-0.5 4,-0.4 0.886 111.8 47.2 -60.4 -39.6 33.5 37.1 41.0 51 51 A K H ><5S+ 0 0 162 -4,-1.9 3,-0.9 -5,-0.3 -2,-0.2 0.941 110.3 51.7 -66.6 -47.4 32.2 40.4 42.3 52 52 A R H 3<5S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.840 123.1 29.5 -58.9 -37.5 32.5 42.1 38.9 53 53 A Y T 3<5S- 0 0 111 -4,-2.1 -49,-0.5 -5,-0.2 -1,-0.3 0.224 108.8-117.0-109.7 14.2 30.6 39.4 37.1 54 54 A G T < 5 + 0 0 53 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.2 0.885 52.2 171.3 53.0 46.9 28.4 38.3 40.0 55 55 A L < - 0 0 15 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.672 32.9-130.8 -92.2 142.1 29.8 34.8 40.2 56 56 A R - 0 0 79 -2,-0.3 -12,-0.1 1,-0.1 -11,-0.1 -0.802 32.5-115.2 -90.8 123.3 29.0 32.4 43.0 57 57 A S + 0 0 82 -2,-0.5 2,-0.3 -14,-0.1 -12,-0.1 -0.292 48.5 155.2 -60.7 139.0 32.2 30.8 44.4 58 58 A G - 0 0 14 -17,-0.3 -14,-0.1 18,-0.1 -13,-0.1 -0.986 43.3-145.2-160.2 164.2 32.6 27.1 44.0 59 59 A V S S+ 0 0 30 -2,-0.3 17,-3.1 1,-0.1 2,-0.3 0.369 81.1 40.3-116.3 0.9 35.1 24.3 43.7 60 60 A G E -B 75 0B 9 15,-0.2 2,-0.3 16,-0.0 15,-0.2 -0.997 52.3-179.2-150.3 152.5 33.5 22.0 41.2 61 61 A L E -B 74 0B 0 13,-2.3 13,-2.6 -2,-0.3 2,-0.4 -0.982 10.8-155.4-152.4 140.4 31.6 22.1 37.9 62 62 A A E > -B 73 0B 0 -2,-0.3 3,-2.1 11,-0.2 4,-0.4 -0.931 28.6-119.3-119.0 143.8 30.1 19.4 35.6 63 63 A A G > >S+ 0 0 0 9,-2.5 3,-2.3 -2,-0.4 5,-1.8 0.847 111.3 63.0 -47.8 -42.8 29.4 19.8 31.9 64 64 A P G > 5S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.809 91.5 68.1 -55.4 -27.3 25.7 19.2 32.4 65 65 A Q G < 5S+ 0 0 2 -3,-2.1 -57,-2.2 1,-0.3 -2,-0.2 0.656 103.3 42.3 -67.7 -16.8 25.6 22.4 34.4 66 66 A I G < 5S- 0 0 20 -3,-2.3 -1,-0.3 -4,-0.4 -59,-0.1 -0.051 129.5 -97.5-116.4 28.4 26.3 24.4 31.3 67 67 A N T < 5S+ 0 0 80 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.813 86.0 127.7 60.9 38.6 23.9 22.3 29.3 68 68 A I < - 0 0 47 -5,-1.8 2,-2.3 -6,-0.1 -2,-0.2 -0.946 50.4-151.3-124.7 105.4 26.4 20.0 27.8 69 69 A S + 0 0 38 -2,-0.5 -49,-2.3 -5,-0.1 2,-0.3 -0.408 54.4 118.0 -78.9 66.1 25.5 16.4 28.4 70 70 A K B S-a 20 0A 61 -2,-2.3 2,-2.0 -51,-0.3 -7,-0.3 -0.966 74.3-110.1-132.0 147.6 29.0 15.0 28.3 71 71 A R S S+ 0 0 19 -51,-2.4 21,-3.3 -2,-0.3 2,-0.4 -0.475 72.6 120.0 -80.7 73.7 31.0 13.2 31.0 72 72 A X E + C 0 91B 0 -2,-2.0 -9,-2.5 19,-0.2 2,-0.3 -0.997 34.4 178.3-135.4 139.0 33.5 15.9 31.8 73 73 A I E -BC 62 90B 0 17,-2.2 17,-2.4 -2,-0.4 2,-0.4 -0.954 17.4-150.0-140.1 159.0 34.1 17.7 35.1 74 74 A A E -BC 61 89B 0 -13,-2.6 -13,-2.3 -2,-0.3 2,-0.4 -0.997 12.4-172.6-129.9 133.0 36.4 20.3 36.6 75 75 A V E +BC 60 88B 1 13,-3.0 13,-2.5 -2,-0.4 2,-0.3 -0.997 7.7 174.8-129.4 130.5 37.5 20.4 40.2 76 76 A L E + C 0 87B 22 -17,-3.1 11,-0.2 -2,-0.4 -18,-0.1 -0.767 5.1 170.5-139.0 89.2 39.4 23.2 41.8 77 77 A I E - C 0 86B 11 9,-2.9 9,-2.5 -2,-0.3 3,-0.1 -0.904 27.8-135.1-103.7 117.0 39.9 22.9 45.5 78 78 A P - 0 0 71 0, 0.0 6,-0.1 0, 0.0 -2,-0.0 -0.175 42.2 -66.0 -67.5 161.7 42.4 25.5 46.9 79 79 A D - 0 0 93 1,-0.2 6,-0.2 6,-0.1 0, 0.0 -0.240 39.4-153.2 -50.4 125.1 45.2 24.7 49.4 80 80 A D - 0 0 133 4,-1.5 -1,-0.2 -3,-0.1 5,-0.1 0.072 51.7 -97.2 -89.4 22.3 43.5 23.7 52.7 81 81 A G S S+ 0 0 77 3,-0.1 -2,-0.1 1,-0.1 4,-0.1 0.217 117.5 92.0 80.4 -18.2 46.6 24.9 54.6 82 82 A S S S- 0 0 69 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.498 107.0-112.3 -84.0 -5.0 47.7 21.3 54.5 83 83 A G S S+ 0 0 53 1,-0.3 2,-0.5 0, 0.0 -4,-0.1 0.325 82.7 123.5 88.6 -8.3 49.6 21.9 51.3 84 84 A K + 0 0 124 -6,-0.1 -4,-1.5 2,-0.0 -1,-0.3 -0.756 31.6 163.1 -91.0 128.9 47.0 19.7 49.6 85 85 A S - 0 0 71 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.1 -0.961 26.3-142.7-140.1 155.9 45.1 21.2 46.6 86 86 A Y E +C 77 0B 46 -9,-2.5 -9,-2.9 -2,-0.3 2,-0.5 -0.951 23.3 164.5-130.3 114.7 43.1 19.7 43.8 87 87 A D E +C 76 0B 74 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.870 24.2 152.1-128.5 93.0 43.1 21.1 40.3 88 88 A Y E -C 75 0B 81 -13,-2.5 -13,-3.0 -2,-0.5 2,-0.6 -0.988 33.9-168.9-134.8 135.5 41.7 18.5 37.9 89 89 A X E -C 74 0B 49 -2,-0.4 2,-0.4 -15,-0.2 46,-0.4 -0.977 29.4-167.3-114.3 111.2 39.8 18.5 34.6 90 90 A L E -C 73 0B 2 -17,-2.4 -17,-2.2 -2,-0.6 2,-0.5 -0.867 17.0-157.6-113.0 141.9 38.6 14.9 34.2 91 91 A V E S-CD 72 133B 0 42,-2.9 42,-2.5 -2,-0.4 -19,-0.2 -0.942 80.7 -7.4-113.4 129.7 37.1 13.1 31.2 92 92 A N E S- 0 0 19 -21,-3.3 -1,-0.2 -2,-0.5 -20,-0.1 0.892 84.4-168.1 53.4 46.4 34.9 10.0 31.7 93 93 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.387 8.2 180.0 -66.4 141.2 35.6 9.9 35.5 94 94 A K E - D 0 131B 119 37,-2.0 37,-2.4 -2,-0.1 2,-0.6 -0.985 31.3-127.7-147.4 133.0 34.5 6.7 37.2 95 95 A I E + D 0 130B 51 -2,-0.3 35,-0.2 35,-0.2 3,-0.1 -0.695 28.1 176.8 -77.8 117.0 34.7 5.5 40.8 96 96 A V E + 0 0 65 33,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.732 65.3 0.7 -94.5 -25.1 36.3 2.1 40.5 97 97 A S E + D 0 129B 56 32,-1.2 32,-2.5 2,-0.0 -1,-0.3 -0.981 65.2 177.2-157.5 158.5 36.4 1.3 44.3 98 98 A H E - D 0 128B 97 -2,-0.3 30,-0.2 30,-0.2 2,-0.1 -0.991 32.5 -93.0-162.5 161.7 35.5 2.9 47.5 99 99 A S - 0 0 29 28,-2.6 27,-0.1 -2,-0.3 28,-0.0 -0.338 23.7-135.6 -74.7 158.6 35.4 2.6 51.3 100 100 A V S S+ 0 0 140 25,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.836 84.7 89.1 -81.6 -35.7 32.3 1.2 53.0 101 101 A Q S S- 0 0 97 24,-0.1 25,-2.6 1,-0.1 26,-0.5 -0.360 73.5-141.5 -64.7 138.8 32.6 4.0 55.6 102 102 A E E -F 125 0C 58 23,-0.3 79,-3.1 24,-0.1 2,-0.3 -0.454 12.7-160.8 -98.6 171.6 30.8 7.2 54.8 103 103 A A E -Fg 124 181C 0 21,-2.6 21,-2.6 77,-0.3 2,-0.3 -0.956 6.8-174.7-146.0 159.1 31.6 10.9 55.2 104 104 A Y E - g 0 182C 19 77,-2.2 79,-2.5 -2,-0.3 19,-0.1 -0.988 30.5-113.9-158.5 149.4 29.6 14.1 55.2 105 105 A L > - 0 0 29 17,-0.4 3,-1.8 -2,-0.3 17,-0.3 -0.742 30.9-132.1 -84.3 130.7 30.0 17.8 55.4 106 106 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.741 104.7 42.7 -55.2 -28.1 28.5 19.1 58.7 107 107 A T T 3 S- 0 0 132 1,-0.4 2,-0.2 12,-0.1 13,-0.1 0.332 111.2-122.6-102.5 7.6 26.6 21.9 57.0 108 108 A G < - 0 0 3 -3,-1.8 -1,-0.4 11,-0.1 2,-0.3 -0.561 38.6 -65.4 88.0-155.0 25.4 19.9 54.0 109 109 A E - 0 0 21 11,-0.4 9,-0.5 9,-0.4 2,-0.3 -0.839 34.3-154.3-133.7 170.3 26.2 20.8 50.4 110 110 A G - 0 0 35 -2,-0.3 2,-0.3 7,-0.1 5,-0.1 -0.882 4.2-161.1-138.2 169.7 25.4 23.5 47.8 111 111 A C > - 0 0 6 3,-0.5 3,-1.7 -2,-0.3 -50,-0.1 -0.972 26.3-134.9-157.2 137.8 25.3 23.7 44.0 112 112 A L T 3 S+ 0 0 12 -2,-0.3 -1,-0.1 1,-0.3 -105,-0.1 0.753 109.5 59.0 -65.5 -21.5 25.4 26.6 41.5 113 113 A S T 3 S+ 0 0 0 1,-0.2 -103,-3.5 -104,-0.1 2,-0.6 0.474 97.6 66.9 -84.9 -3.1 22.5 24.9 39.7 114 114 A V < - 0 0 11 -3,-1.7 -3,-0.5 -105,-0.2 -1,-0.2 -0.903 69.2-164.7-121.0 99.7 20.4 25.2 42.9 115 115 A D S S+ 0 0 95 -2,-0.6 2,-0.3 -105,-0.1 -1,-0.1 0.849 70.4 53.4 -51.2 -45.3 19.6 28.8 43.6 116 116 A D S S- 0 0 130 1,-0.1 -5,-0.1 -6,-0.0 2,-0.0 -0.717 90.2-107.5-100.5 148.2 18.5 28.3 47.2 117 117 A N - 0 0 140 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.1 -0.335 27.8-154.7 -67.6 149.6 20.3 26.6 50.0 118 118 A V - 0 0 52 -9,-0.5 -9,-0.4 2,-0.1 2,-0.2 -0.996 9.0-139.2-130.0 124.9 19.0 23.2 51.1 119 119 A A + 0 0 77 -2,-0.4 2,-0.1 -11,-0.1 -11,-0.1 -0.545 52.3 90.3 -82.0 149.0 19.6 21.9 54.7 120 120 A G S S- 0 0 1 -2,-0.2 -11,-0.4 -13,-0.1 2,-0.2 -0.359 70.6 -89.9 136.5 142.6 20.5 18.3 55.2 121 121 A L - 0 0 6 52,-3.4 2,-0.6 -13,-0.1 48,-0.4 -0.564 28.1-155.4 -80.6 141.4 23.4 15.9 55.4 122 122 A V - 0 0 2 -17,-0.3 -17,-0.4 -2,-0.2 2,-0.4 -0.932 12.2-154.8-119.0 102.2 24.7 14.2 52.2 123 123 A H + 0 0 22 -2,-0.6 2,-0.2 44,-0.4 -19,-0.2 -0.662 23.7 161.1 -82.7 130.1 26.4 11.0 53.1 124 124 A R E -F 103 0C 10 -21,-2.6 -21,-2.6 -2,-0.4 2,-0.2 -0.760 48.5 -67.5-135.0 179.1 29.0 9.8 50.6 125 125 A H E -F 102 0C 54 -23,-0.3 -23,-0.3 -2,-0.2 28,-0.1 -0.541 35.4-145.6 -73.4 136.8 32.0 7.4 50.6 126 126 A N S S+ 0 0 13 -25,-2.6 20,-2.0 -2,-0.2 2,-0.4 0.882 85.6 28.5 -70.0 -36.7 34.8 8.6 52.8 127 127 A K E S+ E 0 145B 107 -26,-0.5 -28,-2.6 18,-0.2 2,-0.3 -0.981 70.7 169.7-129.2 138.4 37.4 7.2 50.4 128 128 A I E -DE 98 144B 4 16,-2.1 16,-2.7 -2,-0.4 2,-0.5 -0.973 25.1-144.7-143.9 157.0 37.2 6.6 46.7 129 129 A T E -DE 97 143B 27 -32,-2.5 -33,-2.7 -2,-0.3 -32,-1.2 -0.995 23.5-166.9-123.7 121.9 39.5 5.6 43.8 130 130 A I E -DE 95 142B 0 12,-2.5 12,-2.5 -2,-0.5 2,-0.4 -0.888 10.2-163.5-114.1 141.9 38.7 7.2 40.5 131 131 A K E +DE 94 141B 112 -37,-2.4 -37,-2.0 -2,-0.4 2,-0.3 -0.968 29.1 138.6-119.9 137.9 40.0 6.4 37.0 132 132 A A E - E 0 140B 9 8,-2.4 8,-2.6 -2,-0.4 2,-0.3 -0.925 47.3-106.0-160.5-179.7 39.6 8.9 34.2 133 133 A K E -DE 91 139B 77 -42,-2.5 -42,-2.9 -2,-0.3 6,-0.2 -0.848 32.1-130.2-114.8 154.2 41.4 10.4 31.2 134 134 A D > - 0 0 43 4,-2.3 3,-2.3 -2,-0.3 -44,-0.1 -0.351 43.5 -79.3 -94.1-175.5 42.8 13.9 31.3 135 135 A I T 3 S+ 0 0 26 -46,-0.4 -109,-0.4 1,-0.3 -45,-0.1 0.764 132.8 48.3 -56.9 -26.1 42.2 16.6 28.6 136 136 A E T 3 S- 0 0 112 -111,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.326 121.7-103.7 -96.8 7.5 44.8 15.0 26.3 137 137 A G S < S+ 0 0 22 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.541 75.8 138.1 85.4 6.0 43.4 11.5 26.8 138 138 A N - 0 0 99 1,-0.1 -4,-2.3 -5,-0.0 2,-0.3 -0.415 58.0 -93.4 -82.5 163.6 46.1 10.3 29.1 139 139 A D E -E 133 0B 117 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.596 38.2-179.7 -86.6 136.7 45.3 8.2 32.2 140 140 A I E -E 132 0B 46 -8,-2.6 -8,-2.4 -2,-0.3 2,-0.4 -0.996 5.5-176.3-132.0 134.3 44.7 9.5 35.7 141 141 A Q E -E 131 0B 102 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.975 12.6-166.2-133.1 117.7 43.9 7.5 38.8 142 142 A L E -E 130 0B 8 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.6 -0.852 16.7-158.5-111.0 143.5 43.1 9.3 42.0 143 143 A R E +E 129 0B 182 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.975 28.7 179.8-116.5 110.7 42.9 8.1 45.6 144 144 A L E -E 128 0B 10 -16,-2.7 -16,-2.1 -2,-0.6 2,-0.3 -0.851 13.5-174.5-119.0 153.8 40.7 10.6 47.5 145 145 A K E -E 127 0B 109 -2,-0.3 4,-0.4 -18,-0.2 -18,-0.2 -0.996 50.1 -20.5-145.9 146.6 39.5 11.0 51.0 146 146 A G S > S+ 0 0 9 -20,-2.0 4,-2.4 -2,-0.3 3,-0.3 -0.282 122.4 10.3 62.5-135.1 37.2 13.3 52.9 147 147 A Y H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 133.3 44.6 -46.4 -57.4 36.4 16.7 51.5 148 148 A P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.880 111.8 54.0 -60.3 -34.1 37.9 16.2 48.0 149 149 A A H > S+ 0 0 0 -4,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.895 109.7 49.0 -64.1 -38.4 36.3 12.7 47.8 150 150 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.915 109.5 51.5 -66.8 -43.0 33.0 14.4 48.6 151 151 A V H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 111.1 46.7 -61.3 -46.9 33.5 17.1 45.9 152 152 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.876 111.5 50.9 -64.9 -36.7 34.3 14.6 43.2 153 153 A Q H X S+ 0 0 11 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.894 109.2 52.5 -67.1 -37.0 31.4 12.3 44.0 154 154 A H H X S+ 0 0 13 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.925 112.7 44.4 -62.1 -46.1 29.1 15.4 43.9 155 155 A E H X S+ 0 0 9 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.891 112.4 50.0 -68.0 -41.2 30.4 16.3 40.4 156 156 A I H >X S+ 0 0 11 -4,-2.6 3,-1.2 1,-0.2 4,-0.7 0.904 103.5 61.8 -64.8 -37.2 30.2 12.7 39.1 157 157 A D H ><>S+ 0 0 29 -4,-2.4 5,-2.5 1,-0.3 3,-1.6 0.892 96.5 60.1 -53.8 -40.1 26.6 12.6 40.4 158 158 A H H ><5S+ 0 0 1 -4,-1.2 3,-1.2 1,-0.3 -1,-0.3 0.837 98.1 58.1 -57.0 -34.1 25.9 15.4 38.0 159 159 A L H <<5S+ 0 0 0 -3,-1.2 -140,-2.4 -4,-0.8 -1,-0.3 0.658 108.3 46.2 -71.1 -17.4 26.9 13.2 35.1 160 160 A N T <<5S- 0 0 61 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.224 122.0-103.5-108.1 11.6 24.3 10.7 36.2 161 161 A G T < 5S+ 0 0 6 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.805 75.6 141.2 71.8 30.6 21.5 13.2 36.6 162 162 A V < - 0 0 38 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.916 36.7-156.8-110.9 128.5 21.8 13.1 40.4 163 163 A X > - 0 0 0 -2,-0.5 3,-2.5 -3,-0.1 4,-0.4 -0.783 27.7-116.7-102.5 147.0 21.4 16.3 42.5 164 164 A F G > S+ 0 0 3 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.808 112.2 60.9 -51.1 -36.2 22.9 16.6 46.0 165 165 A Y G > S+ 0 0 60 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.612 85.2 77.2 -71.1 -9.4 19.5 17.0 47.7 166 166 A D G < S+ 0 0 69 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.768 93.7 52.8 -68.1 -23.8 18.5 13.6 46.4 167 167 A H G < S+ 0 0 74 -3,-1.5 2,-0.4 -4,-0.4 -44,-0.4 0.537 84.3 106.9 -88.8 -8.7 20.6 12.1 49.2 168 168 A I S < S- 0 0 30 -3,-0.9 2,-0.2 -4,-0.2 -46,-0.1 -0.591 71.8-124.8 -79.8 126.9 19.0 14.1 52.0 169 169 A D - 0 0 82 -2,-0.4 -48,-0.1 -48,-0.4 6,-0.1 -0.494 13.6-147.6 -69.5 131.8 16.7 12.2 54.4 170 170 A K S S+ 0 0 188 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.937 92.4 36.5 -66.5 -50.0 13.2 13.8 54.5 171 171 A D S S+ 0 0 123 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.887 134.5 19.9 -73.2 -42.2 12.4 13.0 58.2 172 172 A H > + 0 0 110 1,-0.1 3,-1.5 3,-0.1 -3,-0.2 -0.506 68.2 160.6-130.0 65.5 15.8 13.4 59.8 173 173 A P T 3 S+ 0 0 42 0, 0.0 -52,-3.4 0, 0.0 -4,-0.2 0.784 78.7 44.0 -55.5 -32.9 17.9 15.5 57.4 174 174 A L T 3 S+ 0 0 117 -54,-0.2 -54,-0.1 -6,-0.1 -66,-0.0 0.383 84.2 110.7 -97.4 4.5 20.5 16.5 60.0 175 175 A Q < - 0 0 119 -3,-1.5 -6,-0.1 -6,-0.1 -3,-0.1 -0.702 64.5-136.5 -85.0 113.7 20.9 13.1 61.6 176 176 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.366 22.0-109.7 -67.1 144.4 24.4 11.7 60.9 177 177 A H > - 0 0 91 1,-0.1 3,-2.1 4,-0.1 -75,-0.0 -0.519 46.5 -92.8 -72.3 142.2 24.7 8.0 59.9 178 178 A T T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.328 109.9 9.0 -58.9 133.4 26.3 6.0 62.7 179 179 A D T 3 S+ 0 0 143 1,-0.3 -1,-0.3 -78,-0.1 2,-0.2 0.451 93.5 142.5 75.7 1.5 30.1 5.7 62.2 180 180 A A < - 0 0 18 -3,-2.1 2,-0.5 -79,-0.1 -1,-0.3 -0.495 55.6-113.0 -74.8 144.4 30.0 8.2 59.3 181 181 A V E -g 103 0C 45 -79,-3.1 -77,-2.2 -2,-0.2 2,-0.8 -0.670 17.5-142.7 -83.5 121.7 33.0 10.6 59.2 182 182 A E E -g 104 0C 84 -2,-0.5 2,-0.6 -79,-0.2 -77,-0.2 -0.745 22.2-139.1 -82.2 113.8 32.2 14.3 60.0 183 183 A V 0 0 19 -79,-2.5 -1,-0.0 -2,-0.8 -80,-0.0 -0.665 360.0 360.0 -81.3 116.5 34.5 16.1 57.6 184 184 A H 0 0 198 -2,-0.6 -1,-0.2 -79,-0.1 -79,-0.0 0.901 360.0 360.0 -95.6 360.0 36.1 19.1 59.2