==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-FEB-07 2OS1 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR E.E.KIM,K.-H.KIM,J.H.MOON,K.CHOI,H.K.LEE,H.S.PARK . 179 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 16.8 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 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 RESIDUES PER ALPHA HELIX . 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 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 M 0 0 132 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 145.7 31.7 42.7 27.9 2 2 A I + 0 0 16 34,-0.3 2,-0.2 3,-0.1 64,-0.0 -0.585 360.0 160.7 -71.4 127.5 29.3 45.5 27.4 3 3 A T >> - 0 0 23 -2,-0.4 3,-2.0 52,-0.0 4,-0.5 -0.754 60.0 -80.2-131.6-176.2 28.4 47.4 30.5 4 4 A M G >4 S+ 0 0 28 49,-0.4 3,-1.0 1,-0.3 50,-0.1 0.786 123.5 69.9 -54.9 -25.2 26.9 50.8 31.2 5 5 A K G 34 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.1 0.790 98.3 50.1 -60.7 -29.3 30.4 52.3 30.6 6 6 A D G <4 S+ 0 0 61 -3,-2.0 2,-0.7 -5,-0.1 -1,-0.2 0.589 89.6 92.1 -86.8 -13.6 30.1 51.4 26.9 7 7 A I << - 0 0 4 -3,-1.0 59,-0.2 -4,-0.5 58,-0.1 -0.754 69.9-144.4 -89.6 114.4 26.7 53.0 26.4 8 8 A I - 0 0 23 57,-2.3 2,-0.2 -2,-0.7 59,-0.1 -0.347 17.7-133.5 -73.5 157.5 26.9 56.6 25.3 9 9 A R > - 0 0 79 1,-0.1 3,-2.4 -2,-0.1 100,-0.2 -0.712 32.0 -67.0-116.5 165.5 24.4 59.2 26.5 10 10 A E T 3 S+ 0 0 71 98,-2.5 -1,-0.1 1,-0.3 100,-0.1 -0.148 118.6 45.4 -44.6 130.1 22.2 62.0 25.2 11 11 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 -3,-0.1 5,-0.0 -0.071 80.5 113.1 118.5 -30.7 24.5 64.8 24.0 12 12 A N X - 0 0 50 -3,-2.4 3,-1.9 1,-0.1 -1,-0.4 -0.663 66.6-140.5 -76.5 118.6 26.9 62.5 22.2 13 13 A P G > S+ 0 0 103 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.688 93.2 75.1 -53.0 -24.8 26.4 63.4 18.4 14 14 A T G > S+ 0 0 29 1,-0.3 3,-1.0 2,-0.2 142,-0.1 0.835 87.1 63.4 -60.8 -29.7 26.7 59.7 17.3 15 15 A L G < S+ 0 0 2 -3,-1.9 -1,-0.3 1,-0.2 140,-0.1 0.686 105.9 44.5 -67.9 -17.7 23.1 59.2 18.7 16 16 A R G < S+ 0 0 111 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.398 94.7 95.8-107.1 1.2 21.8 61.7 16.1 17 17 A A S < S- 0 0 41 -3,-1.0 2,-0.6 -4,-0.5 139,-0.1 -0.411 82.3-107.7 -86.1 165.8 23.8 60.4 13.1 18 18 A V - 0 0 87 137,-0.2 137,-0.2 -2,-0.1 136,-0.1 -0.875 40.9-122.6 -95.9 119.4 22.4 58.0 10.5 19 19 A A - 0 0 4 135,-2.0 51,-0.3 -2,-0.6 2,-0.2 -0.243 25.2-108.4 -63.6 148.5 24.2 54.6 11.0 20 20 A E B -a 70 0A 130 49,-2.5 51,-2.4 1,-0.1 67,-0.1 -0.514 29.9-106.8 -81.0 143.0 26.1 53.0 8.1 21 21 A E - 0 0 120 -2,-0.2 -1,-0.1 49,-0.2 51,-0.1 -0.349 38.5-131.5 -61.1 144.4 24.9 49.9 6.3 22 22 A V - 0 0 5 49,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.746 25.3 -95.6-102.2 152.9 27.0 46.9 7.3 23 23 A P - 0 0 72 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.200 36.7-121.1 -63.3 155.3 28.6 44.5 4.8 24 24 A V S S+ 0 0 67 2,-0.2 2,-0.2 108,-0.0 108,-0.1 -0.978 100.7 57.1-137.9 126.0 27.0 41.2 3.8 25 25 A P S S- 0 0 110 0, 0.0 2,-0.1 0, 0.0 107,-0.1 0.470 112.7-111.9 -54.8 149.5 28.4 38.6 4.2 26 26 A I - 0 0 13 -2,-0.2 -2,-0.2 103,-0.2 2,-0.0 -0.415 30.0-120.8 -65.0 131.2 28.4 39.7 7.9 27 27 A T > - 0 0 40 -4,-0.3 4,-2.1 -2,-0.1 5,-0.2 -0.340 18.1-117.6 -70.6 156.0 32.0 40.4 9.1 28 28 A E H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.825 116.2 53.2 -64.0 -29.8 33.3 38.4 12.0 29 29 A E H > S+ 0 0 133 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.933 108.6 47.1 -70.8 -45.5 33.6 41.6 14.0 30 30 A D H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.842 112.3 52.1 -64.5 -31.6 29.9 42.6 13.4 31 31 A R H X S+ 0 0 79 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.945 111.1 46.9 -66.7 -46.8 29.0 39.1 14.3 32 32 A Q H X S+ 0 0 107 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.904 110.4 52.2 -61.6 -44.1 30.9 39.4 17.6 33 33 A L H X S+ 0 0 24 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.931 108.6 51.1 -59.0 -45.4 29.4 42.8 18.3 34 34 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.916 109.5 50.2 -57.9 -44.4 25.9 41.4 17.9 35 35 A E H X S+ 0 0 88 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.932 111.4 48.1 -59.2 -47.6 26.7 38.5 20.2 36 36 A D H X S+ 0 0 60 -4,-2.6 4,-1.8 1,-0.2 -34,-0.3 0.839 110.4 52.8 -63.6 -33.1 28.0 40.9 22.9 37 37 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.913 110.7 45.5 -69.2 -43.0 24.9 43.1 22.4 38 38 A L H X S+ 0 0 27 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.894 110.9 54.2 -67.8 -37.8 22.5 40.2 23.0 39 39 A T H X S+ 0 0 66 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.889 106.4 53.0 -62.2 -38.3 24.6 39.1 26.0 40 40 A F H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.938 108.7 48.8 -62.3 -47.0 24.3 42.5 27.4 41 41 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 17,-0.4 0.922 113.2 46.8 -59.8 -44.2 20.5 42.4 27.1 42 42 A K H >X S+ 0 0 106 -4,-2.4 4,-0.9 1,-0.2 3,-0.7 0.924 113.4 48.6 -64.0 -44.5 20.3 39.0 28.7 43 43 A N H >< S+ 0 0 22 -4,-2.8 3,-0.7 1,-0.2 7,-0.2 0.900 108.4 54.6 -61.4 -40.7 22.6 40.1 31.5 44 44 A S H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.712 109.8 47.3 -67.2 -20.7 20.6 43.2 32.1 45 45 A Q H << S+ 0 0 60 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.558 89.1 92.5 -96.7 -11.2 17.4 41.2 32.5 46 46 A D S S+ 0 0 107 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.860 96.4 43.8 -48.5 -42.3 18.2 40.0 38.4 48 48 A V H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 3,-0.2 0.960 117.3 42.2 -72.3 -52.3 21.5 38.7 39.8 49 49 A K H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 110.1 57.7 -62.8 -37.1 23.8 39.7 37.0 50 50 A A H X>S+ 0 0 17 -4,-3.2 5,-2.3 -7,-0.2 4,-0.5 0.884 111.7 43.2 -59.9 -37.4 22.1 43.1 36.6 51 51 A E H ><5S+ 0 0 134 -4,-1.2 3,-0.5 -5,-0.3 -2,-0.2 0.931 113.0 51.1 -73.7 -46.5 23.0 43.7 40.3 52 52 A E H 3<5S+ 0 0 131 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.933 122.3 31.9 -54.3 -49.9 26.5 42.3 40.0 53 53 A L H 3<5S- 0 0 50 -4,-2.7 -49,-0.4 -5,-0.2 -1,-0.2 0.428 105.4-124.9 -90.3 -1.2 27.3 44.5 36.9 54 54 A Q T <<5 + 0 0 127 -4,-0.5 2,-0.3 -3,-0.5 -3,-0.2 0.957 51.3 165.7 54.0 56.1 25.1 47.4 37.9 55 55 A L < - 0 0 17 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.774 38.7-128.5-104.8 147.5 23.2 47.3 34.6 56 56 A R - 0 0 101 -2,-0.3 2,-0.1 1,-0.1 -12,-0.1 -0.759 40.6-104.5 -88.5 139.5 19.9 49.1 33.8 57 57 A G + 0 0 58 -2,-0.4 2,-0.3 -12,-0.1 -12,-0.1 -0.386 46.9 174.2 -67.3 141.5 17.4 46.6 32.4 58 58 A G - 0 0 13 -17,-0.4 -14,-0.1 -18,-0.1 3,-0.1 -0.996 32.6-165.3-148.3 149.8 16.9 46.7 28.6 59 59 A V S S+ 0 0 34 -2,-0.3 17,-2.8 1,-0.2 2,-0.3 0.366 81.7 26.7-113.0 -0.2 15.0 44.8 26.0 60 60 A G E -B 75 0B 6 15,-0.2 2,-0.3 -19,-0.0 15,-0.2 -0.986 58.3-174.6-157.4 157.5 16.7 46.3 23.0 61 61 A L E -B 74 0B 0 13,-2.2 13,-3.0 -2,-0.3 2,-0.4 -0.971 9.9-153.2-157.5 141.9 20.0 47.9 22.0 62 62 A A E > -B 73 0B 0 -2,-0.3 3,-2.0 11,-0.2 4,-0.3 -0.943 27.1-121.1-120.6 142.3 21.4 49.6 18.9 63 63 A A G > >S+ 0 0 0 9,-2.8 3,-2.6 -2,-0.4 5,-1.6 0.828 109.2 64.8 -48.6 -40.4 25.0 49.8 17.8 64 64 A P G > 5S+ 0 0 1 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 0.835 91.7 65.4 -55.7 -28.9 25.0 53.6 17.8 65 65 A Q G < 5S+ 0 0 3 -3,-2.0 -57,-2.3 1,-0.3 -2,-0.2 0.612 101.5 49.2 -68.0 -11.0 24.4 53.5 21.5 66 66 A L G < 5S- 0 0 18 -3,-2.6 -1,-0.3 -4,-0.3 -3,-0.1 0.131 127.1-102.3-110.1 14.7 27.9 51.9 21.8 67 67 A D T < 5S+ 0 0 85 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.827 88.2 124.4 65.0 35.1 29.4 54.7 19.7 68 68 A I < - 0 0 55 -5,-1.6 2,-2.4 -6,-0.1 -2,-0.2 -0.934 55.1-149.7-125.4 101.6 29.5 52.3 16.7 69 69 A S + 0 0 40 -2,-0.5 -49,-2.5 -5,-0.1 2,-0.3 -0.407 52.1 122.3 -76.5 70.6 27.5 54.0 13.8 70 70 A K B S-a 20 0A 79 -2,-2.4 2,-2.2 -51,-0.3 -7,-0.3 -0.954 73.0-109.7-133.6 150.8 26.3 50.8 12.2 71 71 A R S S+ 0 0 36 -51,-2.4 16,-2.8 -2,-0.3 2,-0.4 -0.479 72.4 124.3 -81.7 72.8 22.9 49.4 11.3 72 72 A I E + C 0 86B 0 -2,-2.2 -9,-2.8 14,-0.2 2,-0.3 -0.999 32.3 176.3-134.2 127.1 22.9 46.6 13.9 73 73 A I E -BC 62 85B 0 12,-2.2 12,-2.9 -2,-0.4 2,-0.4 -0.966 13.2-157.0-132.6 149.7 20.2 46.1 16.5 74 74 A A E -BC 61 84B 0 -13,-3.0 -13,-2.2 -2,-0.3 2,-0.4 -0.974 10.2-171.4-125.6 140.4 19.7 43.5 19.2 75 75 A V E +BC 60 83B 0 8,-2.5 8,-1.7 -2,-0.4 -15,-0.2 -0.989 16.7 173.6-135.0 144.1 16.4 42.6 20.8 76 76 A H E - C 0 82B 35 -17,-2.8 6,-0.2 -2,-0.4 -18,-0.1 -0.698 15.7-179.2-148.8 85.1 15.4 40.4 23.7 77 77 A V E C 0 81B 4 4,-2.9 4,-1.3 -2,-0.2 66,-0.1 -0.826 360.0 360.0 -97.2 115.7 11.7 40.8 24.5 78 78 A P 0 0 112 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.124 360.0 360.0 -71.9 360.0 10.4 38.7 27.4 79 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 80 88 A S 0 0 131 0, 0.0 2,-0.4 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0-165.8 9.2 35.8 22.6 81 89 A L E +C 77 0B 25 -4,-1.3 -4,-2.9 2,-0.0 2,-0.3 -0.974 360.0 157.7-137.9 120.3 11.7 37.5 20.3 82 90 A S E +C 76 0B 54 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.840 28.8 102.6-146.6 103.9 15.5 37.3 20.8 83 91 A T E -C 75 0B 35 -8,-1.7 -8,-2.5 -2,-0.3 2,-0.5 -0.978 59.9-107.3-167.6 173.6 17.9 38.0 17.9 84 92 A V E -C 74 0B 3 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.974 29.5-155.0-117.1 128.8 20.3 40.4 16.3 85 93 A M E -C 73 0B 0 -12,-2.9 -12,-2.2 -2,-0.5 2,-0.5 -0.919 2.5-160.1-110.3 126.1 19.2 42.1 13.1 86 94 A Y E S-CD 72 128B 0 42,-2.7 42,-2.5 -2,-0.5 -14,-0.2 -0.888 77.7 -6.3-105.3 131.6 21.7 43.4 10.5 87 95 A N E S- 0 0 9 -16,-2.8 -1,-0.2 -2,-0.5 -15,-0.1 0.917 88.1-170.1 51.9 49.4 20.6 46.1 8.1 88 96 A P E - 0 0 3 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.405 7.4-178.0 -70.7 146.5 16.9 45.9 9.3 89 97 A K E - D 0 126B 124 37,-2.3 37,-2.4 -2,-0.1 2,-0.8 -0.996 29.2-126.3-147.8 140.5 14.3 47.7 7.4 90 98 A I E - D 0 125B 61 -2,-0.3 35,-0.2 35,-0.2 3,-0.1 -0.783 23.1-177.4 -87.9 112.3 10.5 48.2 7.8 91 99 A L E - 0 0 82 33,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.798 66.9 -12.0 -79.5 -31.1 8.9 47.1 4.5 92 100 A S E - D 0 124B 61 32,-1.1 32,-2.5 2,-0.0 2,-0.3 -0.980 61.4-161.9-162.7 163.6 5.4 48.0 5.6 93 101 A H E - D 0 123B 100 -2,-0.3 30,-0.2 30,-0.2 2,-0.1 -0.971 25.7 -96.3-150.3 162.7 3.3 48.9 8.6 94 102 A S - 0 0 23 28,-2.4 27,-0.0 -2,-0.3 28,-0.0 -0.344 19.0-135.3 -72.5 155.7 -0.2 49.2 9.9 95 103 A V S S+ 0 0 138 25,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.870 87.3 88.7 -69.3 -43.7 -2.3 52.2 9.9 96 104 A Q - 0 0 86 24,-0.1 25,-2.4 1,-0.1 26,-0.5 -0.370 69.5-156.2 -57.5 131.1 -3.3 51.4 13.4 97 105 A D E -F 120 0C 48 23,-0.3 79,-2.4 24,-0.1 2,-0.3 -0.582 10.3-170.4-108.5 170.4 -0.9 52.9 15.9 98 106 A V E -Fg 119 176C 0 21,-3.2 21,-3.1 77,-0.2 2,-0.3 -0.959 4.8-167.7-152.7 164.0 -0.0 51.9 19.5 99 107 A C E - g 0 177C 0 77,-1.2 79,-2.3 -2,-0.3 2,-0.4 -0.985 31.8-104.4-156.8 149.3 1.9 53.2 22.5 100 108 A L E > - g 0 178C 14 17,-0.4 3,-1.9 -2,-0.3 17,-0.3 -0.637 26.8-137.9 -76.5 130.7 3.1 51.9 25.9 101 109 A G T 3 S+ 0 0 23 77,-3.1 78,-0.1 -2,-0.4 -1,-0.1 0.827 103.7 49.0 -57.9 -33.9 0.9 53.2 28.7 102 110 A E T 3 S- 0 0 106 76,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.337 110.1-127.4 -89.2 8.1 3.9 53.9 30.9 103 111 A G < - 0 0 9 -3,-1.9 -1,-0.3 11,-0.1 2,-0.3 -0.380 34.1 -72.1 77.8-162.9 5.8 55.8 28.1 104 112 A E - 0 0 26 11,-0.4 9,-0.4 9,-0.4 2,-0.2 -0.890 35.7-170.9-128.7 157.7 9.4 54.8 27.1 105 113 A G - 0 0 46 -2,-0.3 2,-0.3 7,-0.1 5,-0.1 -0.832 10.2-149.4-133.4-174.2 12.9 55.1 28.5 106 114 A C > - 0 0 8 3,-0.4 3,-2.0 -2,-0.2 -48,-0.0 -0.978 24.4-126.7-161.3 138.2 16.3 54.5 27.0 107 115 A L T 3 S+ 0 0 9 -2,-0.3 -100,-0.1 1,-0.3 -51,-0.1 0.669 112.8 53.3 -66.3 -16.6 19.7 53.3 28.3 108 116 A S T 3 S+ 0 0 0 -99,-0.1 -98,-2.5 1,-0.1 2,-0.6 0.417 96.0 79.8 -94.6 -3.6 21.3 56.4 26.7 109 117 A V < - 0 0 4 -3,-2.0 -3,-0.4 -100,-0.2 2,-0.3 -0.925 54.6-173.1-113.0 112.6 18.9 58.8 28.5 110 118 A D + 0 0 99 -2,-0.6 2,-0.3 -100,-0.1 -3,-0.1 -0.267 65.8 64.9 -97.8 46.1 19.6 59.6 32.1 111 119 A R S S- 0 0 120 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.968 84.7-108.7-158.7 153.4 16.4 61.6 32.7 112 120 A D - 0 0 155 -2,-0.3 -7,-0.1 -7,-0.1 -2,-0.1 -0.794 27.2-171.1 -92.4 126.6 12.7 60.8 32.7 113 121 A V - 0 0 27 -2,-0.5 -9,-0.4 -9,-0.4 -2,-0.0 -0.857 15.2-151.1-119.7 94.1 10.7 62.2 29.8 114 122 A P + 0 0 87 0, 0.0 2,-0.1 0, 0.0 -11,-0.1 -0.212 45.0 76.6 -62.7 151.0 7.0 61.6 30.4 115 123 A G S S- 0 0 2 -14,-0.1 -11,-0.4 48,-0.1 2,-0.3 -0.427 76.8 -67.0 128.5 157.0 4.5 61.2 27.5 116 124 A Y - 0 0 43 52,-2.6 2,-0.7 -2,-0.1 48,-0.4 -0.579 30.3-155.6 -81.5 137.8 3.2 58.8 25.0 117 125 A V - 0 0 1 -17,-0.3 2,-0.5 -2,-0.3 -17,-0.4 -0.928 18.4-153.8-112.6 100.5 5.4 57.6 22.1 118 126 A V + 0 0 52 -2,-0.7 2,-0.2 44,-0.3 -19,-0.2 -0.662 23.9 161.5 -83.8 125.7 3.0 56.6 19.4 119 127 A R E -F 98 0C 11 -21,-3.1 -21,-3.2 -2,-0.5 2,-0.3 -0.776 46.2 -75.2-132.5 175.4 4.3 54.0 16.9 120 128 A H E -F 97 0C 55 -23,-0.3 -23,-0.3 -2,-0.2 28,-0.1 -0.564 32.2-144.4 -76.8 137.2 2.8 51.6 14.4 121 129 A N S S+ 0 0 5 -25,-2.4 20,-1.5 -2,-0.3 2,-0.4 0.809 83.8 33.6 -72.1 -30.0 1.1 48.5 15.9 122 130 A K E + E 0 140B 103 -26,-0.5 -28,-2.4 18,-0.2 2,-0.3 -0.986 66.2 171.3-131.3 139.1 2.2 46.2 13.1 123 131 A I E -DE 93 139B 2 16,-2.4 16,-2.9 -2,-0.4 2,-0.6 -0.994 26.0-142.7-143.9 148.3 5.3 46.1 11.0 124 132 A T E -DE 92 138B 17 -32,-2.5 -33,-2.5 -2,-0.3 -32,-1.1 -0.970 29.2-169.3-111.1 121.3 6.9 43.8 8.5 125 133 A V E -DE 90 137B 0 12,-3.0 12,-2.9 -2,-0.6 2,-0.4 -0.941 14.0-163.7-120.1 135.2 10.6 43.8 8.9 126 134 A S E +DE 89 136B 8 -37,-2.4 -37,-2.3 -2,-0.4 2,-0.3 -0.909 25.3 149.8-112.2 141.9 13.4 42.3 6.7 127 135 A Y E - E 0 135B 14 8,-2.0 8,-2.5 -2,-0.4 2,-0.4 -0.973 43.2-111.1-160.6 168.0 16.9 41.8 8.0 128 136 A F E -DE 86 134B 45 -42,-2.5 -42,-2.7 -2,-0.3 6,-0.2 -0.903 32.2-141.2-107.2 137.8 20.0 39.7 7.7 129 137 A D > - 0 0 31 4,-2.5 3,-2.1 -2,-0.4 -103,-0.2 -0.204 41.3 -78.6 -86.0-173.8 20.9 37.4 10.7 130 138 A M T 3 S+ 0 0 34 1,-0.3 -99,-0.1 -46,-0.2 -104,-0.1 0.689 132.9 51.7 -59.1 -21.9 24.4 36.7 12.0 131 139 A A T 3 S- 0 0 64 2,-0.2 -1,-0.3 -106,-0.1 3,-0.1 0.424 119.7-108.5 -94.9 -0.2 25.0 34.3 9.2 132 140 A G S < S+ 0 0 17 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.650 73.2 141.6 82.6 14.8 24.0 36.8 6.5 133 141 A E - 0 0 123 1,-0.0 -4,-2.5 -108,-0.0 -1,-0.3 -0.756 51.2-118.5 -92.5 135.5 20.7 34.9 5.8 134 142 A K E -E 128 0B 132 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.439 28.6-173.8 -77.4 146.1 17.6 37.0 5.1 135 143 A H E -E 127 0B 70 -8,-2.5 -8,-2.0 -2,-0.1 2,-0.5 -0.977 12.3-161.8-135.4 146.3 14.5 36.9 7.3 136 144 A K E +E 126 0B 122 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.975 22.7 178.0-130.6 113.2 11.2 38.6 6.8 137 145 A V E -E 125 0B 36 -12,-2.9 -12,-3.0 -2,-0.5 2,-0.6 -0.920 27.5-140.1-124.2 147.5 9.1 38.8 10.0 138 146 A R E -E 124 0B 171 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.924 29.3-177.7-103.9 114.1 5.7 40.2 10.9 139 147 A L E +E 123 0B 13 -16,-2.9 -16,-2.4 -2,-0.6 2,-0.3 -0.807 5.1 172.7-112.7 156.9 5.8 41.9 14.3 140 148 A K E >> +E 122 0B 115 -2,-0.3 4,-0.9 -18,-0.2 3,-0.9 -0.954 43.9 4.4-153.2 169.2 3.1 43.5 16.4 141 149 A N H 3> S- 0 0 67 -20,-1.5 4,-2.1 -2,-0.3 3,-0.2 -0.194 124.7 -4.0 55.3-136.5 2.3 45.0 19.8 142 150 A Y H 3> S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.887 135.9 54.0 -56.0 -44.6 5.3 45.3 22.2 143 151 A E H <> S+ 0 0 52 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.901 109.4 48.8 -58.7 -40.6 7.7 43.5 19.9 144 152 A A H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.2 -1,-0.2 0.895 110.3 52.1 -65.2 -39.9 6.9 46.0 17.1 145 153 A I H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.938 109.5 48.6 -61.8 -48.0 7.4 48.9 19.5 146 154 A V H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.933 112.0 48.1 -59.6 -48.0 10.8 47.6 20.6 147 155 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.895 111.3 50.1 -63.2 -38.4 12.0 47.1 17.1 148 156 A Q H X S+ 0 0 14 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.866 108.5 54.2 -67.7 -32.9 10.8 50.6 16.0 149 157 A H H X S+ 0 0 20 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.927 113.3 42.1 -64.5 -44.5 12.6 52.1 19.0 150 158 A E H X S+ 0 0 7 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.891 112.3 51.8 -72.1 -39.9 15.9 50.4 17.9 151 159 A I H X S+ 0 0 11 -4,-2.8 4,-0.6 1,-0.2 3,-0.4 0.890 104.6 59.0 -64.5 -34.9 15.5 51.2 14.2 152 160 A D H ><>S+ 0 0 28 -4,-2.0 5,-3.0 1,-0.2 3,-1.6 0.918 100.5 57.8 -57.4 -41.5 14.9 54.8 15.2 153 161 A H H ><5S+ 0 0 0 -4,-1.2 3,-1.3 1,-0.3 -1,-0.2 0.870 102.4 51.7 -57.1 -39.5 18.3 54.7 16.8 154 162 A I H 3<5S+ 0 0 0 -4,-1.2 -135,-2.0 -3,-0.4 -1,-0.3 0.552 110.8 49.5 -77.9 -2.8 20.0 53.7 13.6 155 163 A N T <<5S- 0 0 66 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.212 123.2-104.9-112.9 8.5 18.3 56.7 11.9 156 164 A G T < 5S+ 0 0 4 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.712 76.0 136.2 75.8 23.9 19.4 59.1 14.6 157 165 A I < - 0 0 56 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.863 38.1-157.3-109.2 137.0 16.0 59.3 16.3 158 166 A M > - 0 0 0 -2,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.796 29.8-113.1-108.9 152.9 15.3 59.2 20.1 159 167 A F G > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.861 113.7 58.4 -53.7 -40.6 12.0 58.2 21.7 160 168 A Y G > S+ 0 0 21 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.653 87.3 76.2 -67.6 -13.3 11.4 61.7 23.1 161 169 A D G < S+ 0 0 65 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.802 96.4 51.1 -64.4 -25.2 11.5 63.2 19.6 162 170 A H G < S+ 0 0 80 -3,-1.7 -44,-0.3 -4,-0.4 2,-0.2 0.521 85.4 107.6 -88.7 -10.9 8.0 61.7 19.2 163 171 A I S < S- 0 0 15 -3,-1.0 2,-1.2 -4,-0.2 -46,-0.1 -0.537 72.0-128.0 -75.6 134.6 6.5 63.1 22.4 164 172 A N > - 0 0 77 -48,-0.4 3,-0.7 4,-0.3 6,-0.2 -0.708 22.2-165.3 -81.4 99.2 3.9 65.9 22.0 165 173 A K T 3 S+ 0 0 173 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.0 0.762 84.1 53.1 -59.0 -28.2 5.5 68.4 24.4 166 174 A E T 3 S+ 0 0 162 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.852 130.5 10.6 -79.7 -33.0 2.4 70.4 24.5 167 175 A N S X S+ 0 0 100 -3,-0.7 3,-1.9 1,-0.1 -1,-0.3 -0.611 73.1 178.9-145.8 74.8 0.0 67.6 25.4 168 176 A P T 3 S+ 0 0 42 0, 0.0 -52,-2.6 0, 0.0 -4,-0.3 0.737 80.8 41.8 -62.6 -27.3 2.2 64.6 26.4 169 177 A F T 3 S+ 0 0 120 -54,-0.2 2,-0.2 -6,-0.1 -54,-0.1 0.122 79.5 135.5-107.8 24.4 -0.6 62.3 27.2 170 178 A A < - 0 0 55 -3,-1.9 2,-0.5 -6,-0.2 -6,-0.1 -0.478 39.3-157.3 -69.9 138.6 -2.9 63.1 24.3 171 179 A L - 0 0 79 -2,-0.2 3,-0.1 4,-0.0 -1,-0.1 -0.877 10.3-138.6-125.0 100.4 -4.4 60.0 22.8 172 180 A K > - 0 0 172 -2,-0.5 3,-2.4 1,-0.2 2,-0.1 -0.271 39.8 -93.0 -56.0 134.9 -5.7 60.3 19.2 173 181 A E T 3 S+ 0 0 204 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 -0.306 114.1 28.4 -53.0 117.4 -8.9 58.5 18.7 174 182 A G T 3 S+ 0 0 66 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.137 84.5 129.0 117.3 -20.6 -8.1 55.0 17.5 175 183 A V < - 0 0 29 -3,-2.4 -1,-0.4 -79,-0.1 -77,-0.2 -0.438 51.3-132.5 -72.0 140.8 -4.6 54.5 19.1 176 184 A L E -g 98 0C 61 -79,-2.4 -77,-1.2 -2,-0.1 2,-0.4 -0.541 12.9-145.7 -90.5 158.8 -4.0 51.3 21.1 177 185 A V E -g 99 0C 74 -79,-0.2 2,-0.5 -2,-0.2 -77,-0.2 -0.989 3.9-157.5-129.5 130.8 -2.4 51.1 24.5 178 186 A I E -g 100 0C 30 -79,-2.3 -77,-3.1 -2,-0.4 2,-0.5 -0.946 5.8-164.2-107.6 131.9 -0.2 48.4 25.9 179 187 A E 0 0 174 -2,-0.5 -79,-0.0 -79,-0.2 -2,-0.0 -0.953 360.0 360.0-120.9 113.0 0.2 48.0 29.6 180 188 A L 0 0 124 -2,-0.5 -1,-0.1 -38,-0.0 -80,-0.0 0.716 360.0 360.0 -87.0 360.0 3.1 45.9 30.9