==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-OCT-09 3K6E . COMPND 2 MOLECULE: CBS DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.CHANG,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 298 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 15.8 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 . 4 1.3 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 . 12 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 2 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 -2 A S 0 0 141 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-101.7 12.1 26.7 82.4 2 -1 A N > + 0 0 67 1,-0.1 4,-1.3 2,-0.1 290,-0.1 -0.664 360.0 146.6-122.2 71.1 15.0 28.8 83.8 3 0 A A H > + 0 0 43 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.738 64.9 66.1 -77.8 -24.3 13.1 31.3 85.8 4 1 A X H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 102.8 45.2 -65.0 -43.2 15.8 31.4 88.4 5 2 A I H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 109.8 56.7 -66.2 -39.8 18.2 33.0 85.9 6 3 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.847 109.6 46.2 -58.5 -34.2 15.4 35.4 84.8 7 4 A K H X S+ 0 0 102 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.958 110.3 50.0 -75.7 -50.0 15.1 36.5 88.4 8 5 A E H X S+ 0 0 48 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.840 111.3 52.2 -52.9 -34.9 18.8 37.0 89.0 9 6 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.953 110.0 46.1 -68.5 -53.2 19.0 39.0 85.8 10 7 A E H X S+ 0 0 7 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.949 112.8 50.1 -53.1 -53.7 16.2 41.4 86.7 11 8 A T H X S+ 0 0 60 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.966 112.2 48.0 -54.4 -53.1 17.5 41.9 90.2 12 9 A F H < S+ 0 0 45 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.895 112.3 50.1 -51.4 -45.0 21.0 42.7 88.7 13 10 A L H >X S+ 0 0 0 -4,-2.9 3,-2.5 1,-0.3 4,-1.4 0.886 102.1 58.0 -63.7 -44.3 19.4 45.0 86.2 14 11 A L H 3< S+ 0 0 39 -4,-2.9 4,-0.4 1,-0.3 -1,-0.3 0.826 96.3 68.3 -53.4 -30.5 17.4 47.0 88.8 15 12 A G T 3< S+ 0 0 61 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.693 110.9 30.9 -60.9 -23.5 20.9 47.5 90.2 16 13 A Q T X4 S+ 0 0 61 -3,-2.5 3,-0.8 -4,-0.3 -1,-0.2 0.493 85.3 113.2-108.6 -11.6 21.7 49.7 87.2 17 14 A E G >< S+ 0 0 40 -4,-1.4 3,-0.9 1,-0.3 4,-0.3 0.715 79.0 49.9 -30.9 -45.1 18.1 51.1 86.5 18 15 A E G > S+ 0 0 183 -4,-0.4 3,-1.4 1,-0.2 -1,-0.3 0.966 106.8 53.3 -64.8 -52.1 19.2 54.6 87.5 19 16 A T G < S+ 0 0 110 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.157 88.7 82.9 -75.8 22.3 22.3 54.7 85.2 20 17 A F G < S+ 0 0 2 -3,-0.9 112,-0.6 -4,-0.2 2,-0.3 0.752 71.4 92.5 -86.6 -30.2 20.2 53.7 82.1 21 18 A L E < -A 131 0A 66 -3,-1.4 110,-0.2 -4,-0.3 108,-0.0 -0.516 56.2-162.9 -77.6 126.6 19.1 57.2 81.4 22 19 A T E -A 130 0A 42 108,-3.1 108,-3.0 -2,-0.3 98,-0.2 -0.961 31.6-130.3 -96.6 118.0 20.9 59.5 79.0 23 20 A P E > -A 129 0A 60 0, 0.0 3,-0.7 0, 0.0 106,-0.4 -0.451 7.2-127.0 -77.3 144.9 19.5 62.9 79.9 24 21 A A T 3 S+ 0 0 3 104,-2.7 105,-0.2 1,-0.2 3,-0.2 0.880 103.2 75.0 -45.4 -41.9 18.2 65.3 77.3 25 22 A K T 3 S+ 0 0 189 103,-0.4 2,-0.7 1,-0.3 -1,-0.2 0.832 103.6 32.1 -50.1 -51.4 20.5 67.9 78.8 26 23 A N S < S+ 0 0 146 -3,-0.7 -1,-0.3 2,-0.1 2,-0.2 -0.890 104.2 84.1-109.2 101.6 23.7 66.4 77.3 27 24 A L S S- 0 0 42 -2,-0.7 2,-0.3 -3,-0.2 -5,-0.0 -0.538 74.8-112.5 162.9 121.8 22.5 64.9 74.0 28 25 A A + 0 0 62 -2,-0.2 2,-0.2 1,-0.0 20,-0.1 -0.552 41.2 166.0 -78.1 128.8 22.0 66.3 70.5 29 26 A V - 0 0 31 -2,-0.3 2,-0.3 22,-0.1 24,-0.2 -0.647 26.7-120.0-126.6-178.1 18.4 66.5 69.1 30 27 A L E -d 53 0B 10 22,-2.2 24,-3.0 -2,-0.2 2,-0.4 -0.938 20.0-120.1-128.7 155.6 16.4 68.2 66.2 31 28 A I E > -d 54 0B 51 -2,-0.3 3,-2.0 22,-0.2 57,-0.3 -0.788 24.5-125.6 -96.9 135.5 13.5 70.6 66.0 32 29 A D T 3 S+ 0 0 27 22,-0.9 57,-1.5 -2,-0.4 56,-0.2 0.591 104.9 44.0 -60.1 -11.7 10.3 69.3 64.2 33 30 A T T 3 S+ 0 0 72 55,-0.2 -1,-0.3 54,-0.2 2,-0.2 0.356 79.5 112.5-118.7 5.2 10.2 72.3 61.9 34 31 A H S < S- 0 0 106 -3,-2.0 54,-0.9 1,-0.1 55,-0.1 -0.588 80.4 -90.6 -76.5 144.0 13.8 72.8 60.7 35 32 A N B > -G 87 0C 52 -2,-0.2 4,-1.7 52,-0.2 52,-0.2 -0.096 25.2-125.2 -64.4 155.7 14.1 71.9 57.0 36 33 A A H > S+ 0 0 0 50,-2.5 4,-1.6 47,-1.0 48,-0.2 0.790 105.2 57.4 -72.2 -32.0 15.0 68.5 55.8 37 34 A D H > S+ 0 0 56 46,-1.1 4,-1.6 1,-0.2 3,-0.2 0.957 109.7 45.3 -62.0 -50.3 18.0 69.4 53.7 38 35 A H H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.863 109.3 53.7 -64.9 -39.0 19.7 71.0 56.7 39 36 A A H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.871 104.6 56.8 -66.2 -29.9 18.9 68.1 59.0 40 37 A T H X S+ 0 0 15 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.933 105.7 51.4 -61.1 -44.1 20.5 65.8 56.5 41 38 A L H < S+ 0 0 77 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.797 112.5 47.0 -58.6 -31.9 23.6 67.9 56.8 42 39 A L H >X S+ 0 0 45 -4,-1.3 4,-2.0 1,-0.2 3,-1.3 0.910 109.9 48.6 -83.0 -43.8 23.4 67.5 60.5 43 40 A L H 3< S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.652 102.8 63.6 -70.2 -18.8 22.9 63.8 60.8 44 41 A S T 3< S+ 0 0 7 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.538 113.1 36.1 -81.4 -6.1 25.7 63.2 58.3 45 42 A Q T <4 S+ 0 0 118 -3,-1.3 -2,-0.2 -5,-0.1 -1,-0.1 0.687 97.4 94.3-110.7 -34.6 28.0 64.7 61.0 46 43 A X S < S- 0 0 42 -4,-2.0 -4,-0.0 1,-0.1 -3,-0.0 -0.268 72.8-133.7 -63.0 147.8 26.4 63.4 64.2 47 44 A T S S+ 0 0 104 2,-0.0 2,-0.2 -3,-0.0 -1,-0.1 0.843 83.9 74.3 -69.3 -35.7 27.7 60.3 65.7 48 45 A Y S S- 0 0 152 1,-0.1 -2,-0.1 -20,-0.1 -3,-0.1 -0.541 70.6-144.6 -91.5 149.2 24.3 58.7 66.3 49 46 A T S S+ 0 0 60 -2,-0.2 17,-0.6 1,-0.1 2,-0.3 0.666 86.3 32.9 -88.0 -22.8 22.2 57.2 63.6 50 47 A R E S- E 0 65B 33 15,-0.2 15,-0.2 16,-0.1 -1,-0.1 -0.990 70.4-168.1-128.4 145.3 18.8 58.3 65.0 51 48 A V E - E 0 64B 5 13,-2.5 13,-1.7 -2,-0.3 -22,-0.1 -0.944 28.5-101.7-128.6 152.7 18.0 61.4 67.0 52 49 A P E - E 0 63B 4 0, 0.0 -22,-2.2 0, 0.0 2,-0.5 -0.432 30.2-144.5 -62.4 140.2 15.1 62.6 69.1 53 50 A V E +dE 30 62B 0 9,-3.4 8,-2.6 -24,-0.2 9,-1.6 -0.957 28.6 170.6-108.7 133.2 12.9 65.1 67.4 54 51 A V E -dE 31 60B 2 -24,-3.0 -22,-0.9 -2,-0.5 6,-0.2 -0.980 17.0-173.7-146.8 148.2 11.5 67.8 69.8 55 52 A T 0 0 41 4,-3.2 -1,-0.1 -2,-0.3 5,-0.1 0.445 360.0 360.0-109.8-115.9 9.6 71.1 69.6 56 53 A D 0 0 145 2,-0.2 3,-0.3 4,-0.1 -1,-0.1 -0.323 360.0 360.0-175.6 360.0 8.6 73.7 72.3 57 ! 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 58 55 A K 0 0 80 0, 0.0 69,-1.7 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 53.3 10.4 71.0 74.4 59 56 A Q B -H 126 0D 77 -3,-0.3 -4,-3.2 67,-0.2 2,-0.3 -0.396 360.0-113.9 -59.2 136.4 7.4 68.9 73.5 60 57 A F E +E 54 0B 40 65,-3.6 -6,-0.2 -6,-0.2 -1,-0.1 -0.619 39.6 174.1 -72.7 133.1 8.6 65.4 72.4 61 58 A V E - 0 0 26 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.854 43.1 -86.7-105.0 -56.8 7.8 64.9 68.8 62 59 A G E -E 53 0B 0 -9,-1.6 -9,-3.4 33,-0.1 -1,-0.4 -0.921 46.0 -71.4 173.9-156.8 9.3 61.5 67.6 63 60 A T E -EF 52 93B 2 30,-2.9 30,-2.4 -11,-0.3 2,-0.3 -0.894 38.2-177.3-127.0 165.7 12.6 60.2 66.2 64 61 A I E +E 51 0B 0 -13,-1.7 -13,-2.5 -2,-0.3 2,-0.3 -0.981 6.3 169.9-160.0 142.0 14.4 60.5 62.9 65 62 A G E >> -E 50 0B 0 -2,-0.3 4,-1.9 -15,-0.2 3,-0.8 -0.908 54.3 -85.7-141.8 177.1 17.4 59.3 61.0 66 63 A L H 3> S+ 0 0 12 -17,-0.6 4,-3.0 -2,-0.3 5,-0.4 0.823 122.9 65.2 -50.6 -37.9 18.9 59.4 57.6 67 64 A R H 3> S+ 0 0 53 -18,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.948 107.8 41.0 -48.5 -49.7 16.9 56.2 56.8 68 65 A D H <> S+ 0 0 19 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.882 118.5 43.8 -70.7 -41.3 13.8 58.3 57.2 69 66 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.984 116.7 45.5 -71.6 -54.8 15.0 61.4 55.4 70 67 A X H X S+ 0 0 4 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.757 111.4 54.4 -55.9 -30.2 16.6 59.5 52.6 71 68 A A H X S+ 0 0 12 -4,-1.6 4,-3.5 -5,-0.4 5,-0.3 0.963 108.5 48.0 -71.0 -49.6 13.5 57.3 52.2 72 69 A Y H X S+ 0 0 51 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.906 115.5 45.1 -52.5 -46.3 11.3 60.3 51.9 73 70 A Q H X>S+ 0 0 16 -4,-2.3 5,-1.6 1,-0.2 4,-0.5 0.869 118.7 40.6 -73.1 -37.8 13.5 61.9 49.3 74 71 A X H ><5S+ 0 0 48 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.930 112.2 53.8 -70.8 -48.3 14.1 58.7 47.3 75 72 A E H 3<5S+ 0 0 116 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.725 122.8 30.6 -63.0 -24.8 10.5 57.4 47.5 76 73 A H H 3<5S- 0 0 107 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.390 102.6-132.4-113.4 -4.6 9.2 60.7 46.2 77 74 A D T <<5 + 0 0 145 -3,-0.6 2,-0.4 -4,-0.5 -3,-0.2 0.950 40.5 171.8 51.6 67.4 12.2 61.7 44.0 78 75 A L < - 0 0 43 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.901 30.5-119.4-114.6 138.7 12.7 65.3 45.2 79 76 A S > - 0 0 62 -2,-0.4 4,-1.6 1,-0.1 3,-0.3 -0.084 32.7-105.7 -58.3 164.6 15.5 67.7 44.4 80 77 A Q H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -43,-0.1 0.813 122.5 62.2 -61.4 -29.0 17.7 69.2 47.1 81 78 A E H 4 S+ 0 0 170 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.891 103.4 44.7 -63.0 -44.7 15.7 72.4 46.4 82 79 A I H >4 S+ 0 0 76 -3,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.856 111.9 54.8 -67.8 -35.1 12.4 70.8 47.5 83 80 A X H >< S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.3 -46,-1.1 0.825 99.8 58.2 -69.3 -34.8 14.0 69.3 50.6 84 81 A A T 3< S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.540 109.9 46.9 -72.5 -4.8 15.3 72.6 51.8 85 82 A D T < S+ 0 0 137 -3,-1.0 2,-0.5 -4,-0.2 -1,-0.3 0.013 95.0 96.1-122.9 22.9 11.7 73.7 51.8 86 83 A T S < S- 0 0 17 -3,-1.5 -50,-2.5 3,-0.0 -49,-0.2 -0.972 70.3-129.7-125.9 117.5 10.3 70.7 53.6 87 84 A D B > -G 35 0C 66 -2,-0.5 3,-0.8 -52,-0.2 -52,-0.2 -0.306 17.6-130.1 -54.6 145.6 9.6 70.4 57.4 88 85 A I G >> S+ 0 0 0 -54,-0.9 3,-2.7 -57,-0.3 4,-1.9 0.761 96.5 79.4 -72.9 -27.6 11.1 67.4 59.0 89 86 A V G 34 S+ 0 0 53 -57,-1.5 -1,-0.2 1,-0.3 -56,-0.1 0.796 80.9 71.9 -54.1 -24.9 7.9 66.4 60.8 90 87 A H G <4 S+ 0 0 126 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.632 113.6 22.6 -70.6 -11.5 6.8 64.9 57.5 91 88 A X T <4 S+ 0 0 18 -3,-2.7 -1,-0.2 -4,-0.1 -2,-0.2 0.444 90.6 122.2-130.7 -13.0 9.3 62.1 57.8 92 89 A T < - 0 0 8 -4,-1.9 2,-0.9 -60,-0.1 -28,-0.2 -0.325 69.7-123.0 -48.7 126.3 9.8 62.0 61.6 93 90 A K B +F 63 0B 77 -30,-2.4 -30,-2.9 1,-0.2 3,-0.2 -0.752 43.9 164.7 -71.7 105.8 8.8 58.6 62.8 94 91 A T + 0 0 81 -2,-0.9 2,-1.0 -32,-0.2 -1,-0.2 0.531 55.8 86.2 -99.9 -13.0 6.2 59.7 65.3 95 92 A D S S+ 0 0 119 -3,-0.1 2,-0.3 -32,-0.1 -1,-0.1 -0.171 71.5 132.1 -82.8 41.1 4.8 56.2 65.6 96 93 A V - 0 0 29 -2,-1.0 2,-0.0 -3,-0.2 0, 0.0 -0.733 61.1-105.0-119.2 150.7 7.3 55.2 68.4 97 94 A A + 0 0 35 -2,-0.3 2,-0.3 14,-0.2 -1,-0.1 -0.260 43.7 173.9 -62.2 142.1 7.6 53.5 71.7 98 95 A V - 0 0 52 20,-0.1 2,-0.3 22,-0.0 22,-0.2 -0.975 16.6-145.8-153.4 154.4 8.2 55.8 74.7 99 96 A V B -b 120 0A 5 20,-2.5 22,-2.4 -2,-0.3 4,-0.1 -0.938 18.9-116.9-132.0 154.4 8.4 55.7 78.5 100 97 A S > - 0 0 58 -2,-0.3 3,-0.6 20,-0.2 22,-0.2 -0.474 42.6-105.7 -79.4 157.5 7.6 57.8 81.5 101 98 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.565 119.1 63.9 -69.6 -4.7 10.6 58.8 83.6 102 99 A D T 3 S+ 0 0 139 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.346 84.2 171.6-105.5 48.7 9.5 56.3 86.3 103 100 A F < - 0 0 16 -3,-0.6 2,-0.3 -86,-0.1 -4,-0.0 -0.089 29.3-134.6 -64.6 154.1 10.1 53.4 83.9 104 101 A T > - 0 0 45 1,-0.1 4,-1.7 192,-0.0 -1,-0.1 -0.821 20.7-121.8-104.7 150.3 10.0 49.7 84.8 105 102 A I H > S+ 0 0 3 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.890 107.9 55.4 -63.6 -41.8 12.7 47.4 83.5 106 103 A T H > S+ 0 0 43 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.968 106.5 50.4 -50.5 -62.3 10.4 45.0 81.6 107 104 A E H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 112.5 51.0 -34.9 -56.5 8.8 47.8 79.5 108 105 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 3,-0.3 0.951 112.1 40.8 -55.1 -64.9 12.4 48.9 78.7 109 106 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 118.1 49.4 -55.0 -38.5 13.8 45.6 77.5 110 107 A H H >< S+ 0 0 111 -4,-3.0 3,-0.8 -5,-0.3 4,-0.3 0.869 112.9 45.4 -70.9 -34.3 10.6 44.8 75.6 111 108 A K H >X S+ 0 0 61 -4,-2.8 4,-1.2 -5,-0.4 3,-0.8 0.731 102.9 65.8 -81.1 -18.5 10.4 48.1 73.9 112 109 A L T 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.348 82.1 78.1 -85.5 3.5 14.1 48.1 73.0 113 110 A V T <4 S+ 0 0 22 -3,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 0.790 104.2 33.5 -77.4 -29.8 13.5 45.1 70.7 114 111 A D T <4 S+ 0 0 135 -3,-0.8 2,-0.3 -4,-0.3 -2,-0.2 0.885 122.2 37.7 -94.4 -44.6 12.0 47.4 68.1 115 112 A E S < S- 0 0 22 -4,-1.2 -1,-0.1 1,-0.1 3,-0.1 -0.788 71.9-129.5-112.0 154.5 14.0 50.6 68.5 116 113 A S S S+ 0 0 37 -2,-0.3 17,-2.9 1,-0.1 18,-0.4 0.623 91.8 20.1 -75.3 -16.5 17.7 51.3 69.3 117 114 A F E S- C 0 132A 15 15,-0.3 15,-0.3 16,-0.1 -1,-0.1 -0.993 74.7-124.0-155.1 160.4 16.9 53.7 72.1 118 115 A L E - C 0 131A 0 13,-3.0 13,-2.1 -2,-0.3 -20,-0.1 -0.882 19.8-134.6-121.2 107.6 14.1 54.6 74.3 119 116 A P E - C 0 130A 0 0, 0.0 -20,-2.5 0, 0.0 2,-0.6 -0.365 17.1-156.3 -59.6 127.5 12.7 58.1 74.5 120 117 A V E +bC 99 129A 0 9,-3.2 8,-3.1 -22,-0.2 9,-0.9 -0.929 20.6 174.4-114.1 111.5 12.1 59.2 78.1 121 118 A V E - C 0 127A 20 -22,-2.4 6,-0.2 -2,-0.6 4,-0.1 -0.926 30.7-104.1-129.1 142.0 9.5 61.9 78.5 122 119 A D > - 0 0 55 4,-3.0 3,-1.6 -2,-0.4 -62,-0.1 -0.034 36.8-109.6 -42.0 151.0 7.6 63.8 81.2 123 120 A A T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 -23,-0.1 0.223 122.0 59.0 -67.7 15.1 4.0 63.1 82.1 124 121 A E T 3 S- 0 0 152 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.078 125.0 -95.8-134.0 24.0 3.6 66.5 80.5 125 122 A G S < S+ 0 0 21 -3,-1.6 -65,-3.6 1,-0.2 2,-0.5 0.284 78.9 136.3 88.9 -9.3 5.0 65.8 77.0 126 123 A I B -H 59 0D 57 -67,-0.2 -4,-3.0 1,-0.1 -1,-0.2 -0.623 54.6-127.7 -86.0 120.6 8.5 67.1 77.6 127 124 A F E + C 0 121A 3 -69,-1.7 -6,-0.2 -2,-0.5 3,-0.1 -0.424 32.9 169.6 -63.5 127.7 11.5 65.1 76.4 128 125 A Q E - 0 0 85 -8,-3.1 -104,-2.7 1,-0.4 -103,-0.4 0.497 52.0 -60.9-122.9 -9.4 13.9 64.4 79.2 129 126 A G E -AC 23 120A 0 -9,-0.9 -9,-3.2 -106,-0.4 -1,-0.4 -0.974 49.2 -96.9 155.9-167.1 16.4 61.8 77.8 130 127 A I E -AC 22 119A 10 -108,-3.0 -108,-3.1 -2,-0.3 2,-0.6 -0.995 8.6-137.0-148.5 153.1 16.8 58.2 76.4 131 128 A I E -AC 21 118A 0 -13,-2.1 -13,-3.0 -2,-0.3 2,-0.2 -0.958 33.5-151.4-107.8 117.9 17.7 54.7 77.3 132 129 A T E > - C 0 117A 30 -2,-0.6 4,-1.7 -112,-0.6 -15,-0.3 -0.584 25.2-126.3 -89.5 151.4 20.0 53.2 74.7 133 130 A R H > S+ 0 0 31 -17,-2.9 4,-2.0 -2,-0.2 5,-0.2 0.877 116.2 58.8 -49.1 -40.8 20.4 49.6 73.6 134 131 A K H > S+ 0 0 58 -18,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.901 100.9 53.5 -57.1 -42.4 24.1 50.3 74.3 135 132 A S H > S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.936 113.0 42.9 -61.1 -47.7 23.4 51.2 78.0 136 133 A I H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.817 109.3 57.6 -70.2 -30.2 21.6 48.0 78.6 137 134 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.877 103.4 53.8 -68.5 -34.1 24.2 46.0 76.7 138 135 A K H X S+ 0 0 113 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.854 107.7 51.3 -64.6 -37.4 26.8 47.4 79.1 139 136 A A H >X S+ 0 0 5 -4,-1.3 4,-1.3 2,-0.2 3,-0.9 0.990 109.2 49.1 -61.2 -63.2 24.7 46.1 82.0 140 137 A V H >X S+ 0 0 2 -4,-2.3 4,-0.9 1,-0.3 3,-0.8 0.875 111.1 52.0 -35.3 -51.4 24.4 42.6 80.5 141 138 A N H >< S+ 0 0 30 -4,-2.3 3,-0.6 1,-0.2 -1,-0.3 0.860 104.5 54.5 -65.0 -34.6 28.2 42.7 80.0 142 139 A A H << S+ 0 0 43 -4,-1.7 3,-0.3 -3,-0.9 -1,-0.2 0.639 100.1 62.1 -75.0 -16.6 28.9 43.6 83.6 143 140 A L H << S+ 0 0 7 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.805 98.7 56.5 -70.1 -32.1 26.9 40.6 84.8 144 141 A L S << S+ 0 0 17 -4,-0.9 2,-0.5 -3,-0.6 -2,-0.2 0.492 104.2 56.6 -82.3 -4.0 29.4 38.4 82.9 145 142 A H 0 0 120 -3,-0.3 -1,-0.2 -4,-0.2 4,-0.0 -0.896 360.0 360.0-129.2 100.3 32.3 39.8 84.9 146 143 A D 0 0 143 -2,-0.5 3,-0.2 -3,-0.1 -2,-0.1 -0.436 360.0 360.0-173.1 360.0 31.6 39.4 88.6 147 !* 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 0.0 148 -1 B N > 0 0 155 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 144.8 27.8 33.9 92.9 149 0 B A T 3> + 0 0 53 1,-0.2 4,-1.1 -3,-0.2 -3,-0.1 0.386 360.0 79.5 -73.0 -0.3 30.1 33.9 89.9 150 1 B X H 3> S+ 0 0 98 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.718 82.1 63.2 -70.4 -28.0 27.9 30.8 89.1 151 2 B I H <> S+ 0 0 44 -3,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.943 99.8 50.6 -61.3 -48.5 25.4 33.4 87.9 152 3 B A H > S+ 0 0 14 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.899 112.9 47.0 -56.0 -42.9 27.7 34.5 85.2 153 4 B K H X S+ 0 0 132 -4,-1.1 4,-3.3 2,-0.2 -2,-0.2 0.953 111.6 49.9 -62.7 -50.1 28.1 30.9 84.2 154 5 B E H X S+ 0 0 94 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.893 113.5 47.7 -54.0 -44.9 24.3 30.3 84.3 155 6 B F H X S+ 0 0 1 -4,-3.1 4,-3.5 2,-0.2 5,-0.2 0.951 112.7 45.3 -62.2 -56.2 23.8 33.4 82.1 156 7 B E H X S+ 0 0 57 -4,-2.7 4,-3.9 2,-0.2 5,-0.3 0.954 113.4 52.5 -50.5 -51.8 26.4 32.5 79.5 157 8 B T H X S+ 0 0 85 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.933 110.8 47.6 -50.3 -51.6 25.0 29.0 79.5 158 9 B F H >< S+ 0 0 14 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.958 114.1 45.4 -54.3 -57.0 21.6 30.4 78.9 159 10 B L H >< S+ 0 0 1 -4,-3.5 3,-3.3 1,-0.3 -2,-0.2 0.880 104.0 62.0 -57.6 -40.3 22.9 32.7 76.1 160 11 B L H >< S+ 0 0 87 -4,-3.9 3,-1.3 1,-0.3 -1,-0.3 0.874 97.4 62.0 -50.3 -35.3 24.8 29.9 74.6 161 12 B G T << S+ 0 0 61 -4,-1.4 -1,-0.3 -3,-0.9 3,-0.2 0.527 98.1 59.1 -65.3 -5.2 21.4 28.4 74.2 162 13 B Q T X> + 0 0 40 -3,-3.3 3,-2.4 1,-0.2 4,-1.5 0.174 58.4 124.0-115.1 17.1 20.4 31.3 72.0 163 14 B E H <> S+ 0 0 68 -3,-1.3 4,-1.8 1,-0.3 -1,-0.2 0.814 74.5 57.9 -43.6 -35.3 22.9 31.1 69.1 164 15 B E H 34 S+ 0 0 189 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.458 107.5 44.2 -86.1 -1.4 20.1 31.0 66.6 165 16 B T H <4 S+ 0 0 56 -3,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.801 121.0 34.0-100.9 -52.2 18.4 34.2 67.6 166 17 B F H < S+ 0 0 3 -4,-1.5 2,-0.6 116,-0.1 112,-0.6 0.731 110.5 67.7 -82.0 -23.7 21.4 36.5 67.9 167 18 B L E < -I 277 0E 42 -4,-1.8 110,-0.2 -5,-0.4 -1,-0.1 -0.904 63.9-175.1-101.9 117.2 23.5 35.0 65.1 168 19 B T E -I 276 0E 33 108,-2.3 108,-2.0 -2,-0.6 2,-0.2 -0.955 21.2-131.1-110.8 127.9 22.0 35.5 61.7 169 20 B P E > -I 275 0E 46 0, 0.0 3,-3.2 0, 0.0 106,-0.3 -0.541 17.7-118.2 -85.4 149.4 23.7 33.8 58.8 170 21 B A G > S+ 0 0 23 104,-3.0 3,-2.7 1,-0.3 105,-0.1 0.855 112.8 72.0 -46.8 -49.4 24.7 35.6 55.5 171 22 B K G 3 S+ 0 0 199 103,-0.3 -1,-0.3 1,-0.3 104,-0.1 0.716 103.5 42.3 -26.2 -37.9 22.4 33.2 53.8 172 23 B N G < S+ 0 0 124 -3,-3.2 2,-0.3 2,-0.1 -1,-0.3 0.330 104.4 76.8-106.3 2.2 19.5 35.2 55.4 173 24 B L S < S- 0 0 29 -3,-2.7 2,-0.4 -4,-0.2 24,-0.0 -0.803 77.1-112.0-113.3 157.2 20.7 38.9 55.0 174 25 B A - 0 0 63 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.701 38.9-176.9 -74.8 131.5 20.9 41.5 52.3 175 26 B V - 0 0 59 -2,-0.4 2,-0.4 22,-0.1 24,-0.2 -0.998 17.6-138.5-131.3 142.1 24.5 42.2 51.4 176 27 B L E -l 199 0F 13 22,-1.8 24,-1.9 -2,-0.4 2,-0.2 -0.841 18.6-124.2 -98.9 132.6 25.8 44.8 48.9 177 28 B I E > -l 200 0F 77 -2,-0.4 3,-1.9 22,-0.2 57,-0.2 -0.504 27.5-117.6 -66.1 144.8 28.7 44.0 46.4 178 29 B D T 3 S+ 0 0 32 22,-2.2 57,-2.5 1,-0.3 58,-0.3 0.666 110.3 60.2 -59.8 -16.1 31.6 46.5 46.8 179 30 B T T 3 S+ 0 0 72 54,-0.2 -1,-0.3 55,-0.2 2,-0.2 0.307 70.7 121.5 -99.3 6.7 31.0 47.8 43.2 180 31 B H S < S- 0 0 38 -3,-1.9 54,-2.2 1,-0.1 55,-0.1 -0.537 73.8-107.2 -67.2 132.7 27.4 49.0 43.6 181 32 B N B > -O 233 0G 54 -2,-0.2 4,-2.3 52,-0.2 3,-0.4 -0.350 21.2-123.2 -66.5 145.5 27.3 52.6 42.7 182 33 B A H > S+ 0 0 0 50,-1.9 4,-2.2 47,-1.0 48,-0.2 0.838 106.9 59.2 -60.8 -34.4 26.8 55.0 45.7 183 34 B D H > S+ 0 0 50 46,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.917 111.1 37.3 -62.2 -45.8 23.7 56.5 44.2 184 35 B H H > S+ 0 0 87 -3,-0.4 4,-3.6 2,-0.2 -1,-0.2 0.846 111.7 60.4 -77.2 -31.1 21.7 53.3 43.9 185 36 B A H X S+ 0 0 0 -4,-2.3 4,-3.7 2,-0.2 5,-0.3 0.952 101.1 56.4 -53.8 -47.0 23.1 52.0 47.2 186 37 B T H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.944 110.4 42.3 -52.0 -54.8 21.6 55.1 48.7 187 38 B L H X S+ 0 0 63 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.946 114.4 51.7 -55.6 -51.3 18.1 54.1 47.4 188 39 B L H >X S+ 0 0 58 -4,-3.6 3,-1.1 1,-0.2 4,-0.8 0.942 112.7 46.0 -51.0 -51.0 18.7 50.5 48.4 189 40 B L H >< S+ 0 0 2 -4,-3.7 3,-1.0 1,-0.2 -1,-0.2 0.891 103.9 59.9 -56.3 -47.7 19.7 51.5 51.9 190 41 B S H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.694 108.8 48.6 -57.5 -17.8 16.8 53.9 52.4 191 42 B Q H << S+ 0 0 101 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.661 94.6 83.8-101.0 -21.9 14.5 51.0 51.9 192 43 B X S << S- 0 0 32 -3,-1.0 0, 0.0 -4,-0.8 0, 0.0 -0.457 73.6-131.4 -85.6 161.7 16.0 48.4 54.2 193 44 B T S S+ 0 0 111 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.727 81.4 85.6 -84.7 -26.7 15.3 48.0 57.9 194 45 B Y - 0 0 88 1,-0.1 -2,-0.1 -127,-0.0 3,-0.1 -0.504 65.7-149.2 -75.6 144.2 19.0 47.8 59.0 195 46 B T S S+ 0 0 46 1,-0.2 17,-0.5 -2,-0.2 2,-0.4 0.828 87.8 32.4 -74.7 -38.0 21.0 50.9 59.6 196 47 B R - 0 0 31 15,-0.1 15,-0.2 16,-0.1 -1,-0.2 -0.944 68.9-168.4-120.0 141.6 24.3 49.1 58.5 197 48 B V E - M 0 210F 3 13,-2.1 13,-1.9 -2,-0.4 -22,-0.1 -0.984 26.3-112.4-128.6 145.3 24.7 46.4 55.9 198 49 B P E - M 0 209F 6 0, 0.0 -22,-1.8 0, 0.0 2,-0.4 -0.389 26.0-144.1 -75.4 151.7 27.8 44.3 55.2 199 50 B V E -lM 176 208F 0 9,-3.7 8,-3.3 -24,-0.2 9,-1.5 -0.973 20.5-179.8-120.2 135.0 29.7 44.7 52.0 200 51 B V E -lM 177 206F 8 -24,-1.9 -22,-2.2 -2,-0.4 6,-0.2 -0.846 25.7-111.5-129.2 160.8 31.3 41.9 50.1 201 52 B T > - 0 0 27 4,-1.8 3,-2.3 -2,-0.3 6,-0.0 -0.353 46.1 -93.1 -79.5 168.9 33.4 41.2 47.0 202 53 B D T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -25,-0.0 0.866 132.5 46.9 -48.9 -42.5 32.1 39.3 43.9 203 54 B E T 3 S- 0 0 140 2,-0.0 -1,-0.3 1,-0.0 -2,-0.1 -0.099 128.3-103.0 -93.4 31.4 33.6 36.0 45.4 204 55 B K < + 0 0 150 -3,-2.3 69,-1.4 1,-0.2 2,-0.2 0.580 62.2 161.9 64.0 22.4 31.9 37.0 48.7 205 56 B Q B -P 272 0H 60 67,-0.2 -4,-1.8 1,-0.1 2,-0.4 -0.529 47.6-110.7 -68.2 133.5 35.0 38.3 50.7 206 57 B F E +M 200 0F 36 65,-2.6 -6,-0.2 -2,-0.2 -1,-0.1 -0.563 43.9 169.3 -68.8 123.7 34.0 40.4 53.6 207 58 B V E - 0 0 30 -8,-3.3 2,-0.3 -2,-0.4 -7,-0.2 0.817 48.5 -80.1-102.3 -49.8 35.0 44.0 52.8 208 59 B G E -M 199 0F 0 -9,-1.5 -9,-3.7 33,-0.1 -1,-0.4 -0.971 47.1 -71.3 171.9-169.2 33.3 46.1 55.6 209 60 B T E -MN 198 239F 2 30,-1.8 30,-2.8 -2,-0.3 2,-0.3 -0.830 36.3-161.7-114.1 160.0 30.0 47.7 56.6 210 61 B I E +M 197 0F 0 -13,-1.9 -13,-2.1 -2,-0.3 2,-0.3 -1.000 9.9 175.5-145.1 138.5 28.1 50.6 55.1 211 62 B G >> - 0 0 2 -2,-0.3 4,-1.5 -15,-0.2 3,-0.7 -0.894 48.0 -99.3-134.2 165.4 25.4 53.0 56.2 212 63 B L H 3> S+ 0 0 10 -17,-0.5 4,-2.9 -2,-0.3 5,-0.2 0.769 121.5 59.6 -56.3 -32.2 23.7 56.0 54.7 213 64 B R H 3> S+ 0 0 74 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.905 100.8 54.2 -63.9 -39.1 25.9 58.2 56.8 214 65 B D H <> S+ 0 0 31 -3,-0.7 4,-1.1 1,-0.2 -2,-0.2 0.925 114.4 41.9 -60.9 -41.8 29.0 56.7 55.3 215 66 B I H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.920 117.7 44.6 -68.4 -47.2 27.6 57.7 51.9 216 67 B X H X S+ 0 0 12 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.918 112.3 51.4 -66.6 -44.5 26.3 61.1 52.8 217 68 B A H X S+ 0 0 35 -4,-3.2 4,-3.0 -5,-0.2 -1,-0.2 0.842 113.2 48.5 -60.3 -31.0 29.4 62.0 54.7 218 69 B Y H X S+ 0 0 50 -4,-1.1 4,-2.9 -5,-0.3 5,-0.2 0.962 107.7 49.9 -75.4 -53.0 31.3 61.0 51.6 219 70 B Q H X>S+ 0 0 61 -4,-2.8 5,-1.8 1,-0.2 4,-1.1 0.943 118.1 45.7 -44.8 -47.4 29.3 63.0 49.1 220 71 B X H <5S+ 0 0 95 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.909 110.7 47.2 -70.5 -50.0 29.8 65.8 51.4 221 72 B E H <5S+ 0 0 155 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.912 123.0 38.4 -55.0 -39.2 33.5 65.5 52.2 222 73 B H H <5S- 0 0 84 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.483 99.9-132.3-101.5 -0.7 34.2 65.1 48.5 223 74 B D T <5 + 0 0 137 -4,-1.1 2,-0.4 -3,-0.4 -3,-0.2 0.866 41.4 176.2 62.2 39.6 31.6 67.6 47.1 224 75 B L < - 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