==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-APR-10 3MN3 . COMPND 2 MOLECULE: CARBON CATABOLITE-DEREPRESSING PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.J.RUDOLPH,G.A.AMODEO,L.TONG . 252 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 21 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 0 1 0 2 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 50 A A 0 0 93 0, 0.0 7,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -27.1 -14.9 40.5 44.7 2 51 A H E +A 7 0A 128 5,-0.2 2,-0.3 21,-0.0 5,-0.2 -0.965 360.0 164.5-123.5 139.6 -18.4 39.1 44.3 3 52 A I E > -A 6 0A 30 3,-2.0 3,-1.8 -2,-0.4 61,-0.0 -0.926 69.7 -49.7-147.7 121.3 -20.7 38.7 41.3 4 53 A G T 3 S- 0 0 57 -2,-0.3 -1,-0.1 1,-0.3 58,-0.0 -0.263 126.1 -16.0 47.6-126.8 -23.8 36.4 41.5 5 54 A N T 3 S+ 0 0 92 -3,-0.1 21,-2.7 2,-0.0 2,-0.4 -0.073 119.4 99.1 -92.3 33.4 -22.4 33.1 42.8 6 55 A Y E < -AB 3 25A 22 -3,-1.8 -3,-2.0 19,-0.2 2,-0.5 -0.955 55.1-154.1-136.0 144.2 -18.7 33.9 42.1 7 56 A Q E -AB 2 24A 93 17,-2.1 17,-2.1 -2,-0.4 -5,-0.2 -0.963 28.8-126.3-117.9 117.9 -15.7 35.2 44.0 8 57 A I E + B 0 23A 43 -7,-2.4 15,-0.2 -2,-0.5 3,-0.1 -0.437 32.5 168.2 -74.7 136.7 -13.0 37.0 41.9 9 58 A V E - 0 0 68 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.808 54.2 -34.7-110.3 -62.7 -9.4 35.8 42.1 10 59 A K E - B 0 22A 122 12,-0.8 12,-2.5 2,-0.0 -1,-0.4 -0.960 56.0 -97.0-159.7 170.2 -7.2 37.3 39.3 11 60 A T E + B 0 21A 80 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.782 42.1 155.0-100.6 140.6 -7.1 38.6 35.7 12 61 A L E - B 0 20A 28 8,-2.5 8,-3.4 -2,-0.4 2,-0.4 -0.918 39.0-105.3-146.2 174.9 -5.9 36.6 32.7 13 62 A G E - B 0 19A 52 -2,-0.3 2,-0.2 6,-0.2 6,-0.2 -0.865 20.4-168.4-103.5 144.0 -6.4 36.5 29.0 14 63 A E > - 0 0 0 4,-2.0 3,-2.3 1,-0.4 4,-0.2 -0.665 44.2 -98.4-129.4 80.2 -8.5 33.8 27.2 15 64 A G G > S+ 0 0 25 1,-0.3 3,-2.3 -2,-0.2 -1,-0.4 -0.153 104.0 2.7 47.8-130.8 -7.9 34.0 23.4 16 65 A S G 3 S+ 0 0 41 1,-0.3 122,-0.4 118,-0.2 -1,-0.3 0.523 125.9 68.1 -67.8 -7.6 -10.6 35.9 21.6 17 66 A F G < S- 0 0 3 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.565 89.0-163.3 -80.5 -12.4 -12.4 36.7 24.9 18 67 A G < + 0 0 18 -3,-2.3 -4,-2.0 -4,-0.2 2,-0.3 -0.284 54.2 14.2 62.7-146.1 -9.5 39.0 25.9 19 68 A K E S+B 13 0A 170 -6,-0.2 17,-0.3 -8,-0.1 2,-0.3 -0.451 75.8 167.4 -63.9 119.5 -9.1 40.0 29.5 20 69 A V E -B 12 0A 3 -8,-3.4 -8,-2.5 -2,-0.3 2,-0.5 -0.844 32.1-120.5-125.8 165.1 -11.2 37.8 31.8 21 70 A K E -BC 11 34A 74 13,-2.0 13,-2.3 -2,-0.3 2,-0.3 -0.957 18.8-133.5-113.2 123.4 -11.4 37.3 35.6 22 71 A L E +BC 10 33A 5 -12,-2.5 -13,-3.1 -2,-0.5 -12,-0.8 -0.582 35.9 177.7 -65.2 129.7 -10.8 33.9 37.1 23 72 A A E -BC 8 32A 0 9,-2.5 9,-2.2 -2,-0.3 2,-0.5 -0.975 25.5-134.3-139.2 151.2 -13.5 33.3 39.7 24 73 A Y E -BC 7 31A 82 -17,-2.1 -17,-2.1 -2,-0.3 7,-0.2 -0.914 29.7-113.3-105.0 130.0 -14.6 30.5 42.1 25 74 A H E > -B 6 0A 32 5,-2.9 4,-1.3 -2,-0.5 -19,-0.2 -0.419 26.4-133.0 -57.0 137.2 -18.2 29.4 42.4 26 75 A T T 4 S+ 0 0 75 -21,-2.7 -1,-0.1 1,-0.2 -20,-0.1 0.525 97.5 25.3 -83.4 -7.6 -19.2 30.3 45.9 27 76 A T T 4 S+ 0 0 118 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.690 132.8 30.2-118.4 -46.3 -20.8 27.0 46.7 28 77 A T T 4 S- 0 0 101 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.627 91.6-131.5 -92.8 -18.1 -19.2 24.3 44.5 29 78 A G < + 0 0 45 -4,-1.3 2,-0.1 1,-0.2 -3,-0.1 0.580 47.6 161.7 72.0 12.1 -15.7 25.9 44.1 30 79 A Q - 0 0 94 -6,-0.1 -5,-2.9 1,-0.1 2,-0.3 -0.437 40.4-121.2 -66.1 134.6 -15.8 25.5 40.4 31 80 A K E +C 24 0A 61 -7,-0.2 43,-0.5 -2,-0.1 2,-0.3 -0.569 40.9 167.4 -73.8 140.6 -13.4 27.6 38.4 32 81 A V E -C 23 0A 0 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.4 -0.948 31.6-127.0-150.2 153.7 -15.0 29.9 35.9 33 82 A A E -CD 22 72A 0 39,-2.8 39,-2.8 -2,-0.3 2,-0.6 -0.963 17.7-152.0-110.4 137.2 -14.0 32.9 33.8 34 83 A L E -CD 21 71A 1 -13,-2.3 -13,-2.0 -2,-0.4 2,-0.7 -0.942 3.7-163.5-107.3 116.2 -16.0 36.1 33.9 35 84 A K E - D 0 70A 42 35,-3.0 35,-3.1 -2,-0.6 2,-0.6 -0.910 14.6-159.1 -97.8 109.3 -16.0 38.3 30.7 36 85 A I E - D 0 69A 37 -2,-0.7 2,-0.5 -17,-0.3 33,-0.2 -0.826 9.6-171.7 -96.8 120.0 -17.3 41.7 31.8 37 86 A I E D 0 68A 42 31,-3.3 31,-3.0 -2,-0.6 -2,-0.0 -0.956 360.0 360.0-107.3 121.4 -18.7 44.1 29.2 38 87 A N 0 0 162 -2,-0.5 -1,-0.1 29,-0.2 31,-0.0 0.518 360.0 360.0-114.4 360.0 -19.5 47.7 30.2 39 ! 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 40 100 A I > 0 0 85 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.6 -23.3 41.6 21.9 41 101 A E H > + 0 0 148 2,-0.2 4,-1.7 1,-0.2 3,-0.1 0.944 360.0 42.4 -53.3 -51.9 -26.9 40.2 22.1 42 102 A R H > S+ 0 0 187 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 111.8 53.3 -65.3 -44.2 -26.3 38.4 18.8 43 103 A E H > S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.811 107.8 52.4 -64.0 -32.0 -22.8 37.2 19.6 44 104 A I H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.914 107.2 51.6 -66.5 -45.5 -24.1 35.6 22.8 45 105 A S H X S+ 0 0 66 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.879 110.4 48.8 -59.9 -40.5 -26.8 33.7 21.0 46 106 A Y H < S+ 0 0 54 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.824 111.7 49.0 -68.5 -34.9 -24.2 32.3 18.5 47 107 A L H >< S+ 0 0 5 -4,-1.3 3,-1.8 1,-0.2 11,-0.3 0.849 101.8 62.8 -72.6 -37.5 -21.9 31.3 21.4 48 108 A R H 3< S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.738 97.6 60.5 -54.8 -29.1 -24.9 29.6 23.2 49 109 A L T 3< S+ 0 0 106 -4,-0.7 2,-1.2 -3,-0.2 -1,-0.3 0.633 81.4 95.5 -71.9 -19.2 -25.0 27.3 20.2 50 110 A L < + 0 0 3 -3,-1.8 2,-0.5 -4,-0.2 8,-0.3 -0.635 42.4 156.3 -86.9 96.3 -21.5 26.0 20.7 51 111 A R + 0 0 188 -2,-1.2 -1,-0.1 6,-0.1 5,-0.1 -0.697 21.2 122.3-125.5 79.0 -21.7 22.7 22.7 52 112 A H > - 0 0 22 -2,-0.5 3,-1.5 3,-0.4 52,-0.0 -0.974 66.9-119.1-134.4 143.8 -18.6 20.6 22.1 53 113 A P T 3 S+ 0 0 60 0, 0.0 4,-0.1 0, 0.0 195,-0.0 0.639 112.9 43.6 -59.5 -13.4 -16.2 19.3 24.7 54 114 A H T 3 S+ 0 0 1 46,-0.1 79,-2.5 78,-0.1 2,-0.4 0.114 96.5 81.7-124.8 23.0 -13.3 21.2 23.1 55 115 A I B < S-f 133 0B 3 -3,-1.5 -3,-0.4 77,-0.3 79,-0.2 -0.998 93.7 -98.4-122.9 130.0 -14.8 24.6 22.4 56 116 A I - 0 0 1 77,-2.4 2,-0.3 -2,-0.4 79,-0.2 -0.229 46.1-141.0 -48.3 126.0 -15.1 27.1 25.2 57 117 A K - 0 0 92 -4,-0.1 16,-2.4 -6,-0.1 2,-0.6 -0.694 6.3-132.3 -99.0 142.7 -18.6 27.0 26.7 58 118 A L E +E 72 0A 18 -11,-0.3 14,-0.3 -8,-0.3 3,-0.1 -0.844 22.5 179.4 -87.3 122.4 -20.9 29.7 27.9 59 119 A Y E - 0 0 75 12,-3.4 2,-0.3 -2,-0.6 13,-0.2 0.876 60.1 -24.6 -87.4 -45.6 -22.4 28.8 31.3 60 120 A D E -E 71 0A 77 11,-1.4 11,-3.2 2,-0.0 2,-0.4 -0.978 48.0-130.9-163.0 161.2 -24.5 31.8 32.0 61 121 A V E -E 70 0A 17 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.994 21.2-164.0-125.3 123.9 -25.1 35.5 31.4 62 122 A I E -E 69 0A 41 7,-3.1 7,-3.1 -2,-0.4 2,-0.7 -0.915 10.1-146.6-109.7 133.2 -25.6 38.0 34.3 63 123 A K E -E 68 0A 118 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.874 12.2-175.8 -99.5 112.6 -27.1 41.5 33.8 64 124 A S - 0 0 44 3,-3.5 4,-0.1 -2,-0.7 -1,-0.1 0.227 42.7-123.1 -90.0 14.1 -25.6 44.0 36.3 65 125 A K S S+ 0 0 203 2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.835 112.9 43.3 45.1 40.3 -28.0 46.8 35.0 66 126 A D S S+ 0 0 144 1,-0.4 2,-0.3 -28,-0.0 -1,-0.2 0.055 125.0 22.4 178.9 -40.8 -24.7 48.6 34.3 67 127 A E - 0 0 65 2,-0.0 -3,-3.5 -31,-0.0 2,-0.5 -0.980 66.8-130.8-142.7 155.2 -22.6 45.8 32.8 68 128 A I E -DE 37 63A 47 -31,-3.0 -31,-3.3 -2,-0.3 2,-0.6 -0.951 23.5-161.6-105.3 126.0 -23.1 42.4 31.1 69 129 A I E -DE 36 62A 3 -7,-3.1 -7,-3.1 -2,-0.5 2,-0.5 -0.942 3.2-156.6-113.2 118.1 -21.1 39.6 32.6 70 130 A M E -DE 35 61A 0 -35,-3.1 -35,-3.0 -2,-0.6 2,-0.8 -0.805 7.1-150.4 -89.2 127.8 -20.6 36.4 30.6 71 131 A V E +DE 34 60A 0 -11,-3.2 -12,-3.4 -2,-0.5 -11,-1.4 -0.870 31.8 168.7-102.1 103.2 -19.8 33.3 32.6 72 132 A I E -DE 33 58A 0 -39,-2.8 -39,-2.8 -2,-0.8 -14,-0.2 -0.675 40.0 -75.5-116.8 166.6 -17.6 31.1 30.4 73 133 A E - 0 0 25 -16,-2.4 2,-0.4 -2,-0.2 -41,-0.2 -0.299 48.3-122.9 -61.1 138.4 -15.4 28.0 30.7 74 134 A Y + 0 0 32 -43,-0.5 2,-0.3 -51,-0.1 53,-0.3 -0.748 38.8 159.2 -89.7 129.9 -12.0 28.6 32.4 75 135 A A - 0 0 1 -2,-0.4 51,-0.2 51,-0.1 50,-0.0 -0.856 12.6-176.4-148.1 107.9 -8.7 27.7 30.5 76 136 A G + 0 0 28 -2,-0.3 2,-0.3 49,-0.1 50,-0.1 0.422 59.0 61.2 -95.9 1.7 -5.7 29.4 31.9 77 137 A N E -G 125 0B 90 48,-1.7 48,-2.6 -63,-0.0 2,-0.4 -0.847 69.8-129.8-126.5 161.9 -3.0 28.2 29.5 78 138 A E E > -G 124 0B 60 -2,-0.3 4,-1.9 46,-0.3 46,-0.3 -0.880 20.1-131.3-108.3 143.4 -2.3 28.3 25.8 79 139 A L H > S+ 0 0 0 44,-3.0 4,-2.2 -2,-0.4 5,-0.1 0.898 106.1 49.5 -61.4 -43.7 -1.5 25.2 23.8 80 140 A F H > S+ 0 0 29 43,-0.4 4,-2.5 40,-0.3 -1,-0.2 0.859 108.3 54.4 -69.2 -33.6 1.6 26.6 22.1 81 141 A D H > S+ 0 0 65 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.938 109.4 47.7 -55.4 -53.2 3.0 27.8 25.4 82 142 A Y H < S+ 0 0 40 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 112.9 49.1 -57.7 -42.6 2.6 24.3 26.8 83 143 A I H >< S+ 0 0 8 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.886 116.6 42.1 -61.1 -44.6 4.3 22.8 23.7 84 144 A V H 3< S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.889 106.1 60.4 -71.2 -43.4 7.2 25.4 23.9 85 145 A Q T 3< S+ 0 0 136 -4,-3.3 2,-0.3 -5,-0.2 -1,-0.2 0.318 107.7 55.8 -73.9 10.2 7.7 25.2 27.7 86 146 A R S < S- 0 0 102 -3,-0.6 3,-0.1 -5,-0.2 2,-0.0 -0.860 91.8-101.1-131.0 167.3 8.4 21.5 27.3 87 147 A D S S- 0 0 127 -2,-0.3 -1,-0.1 1,-0.2 95,-0.1 -0.217 73.4 -47.8 -74.5 177.3 10.9 19.4 25.3 88 148 A K - 0 0 113 1,-0.1 -1,-0.2 93,-0.1 2,-0.2 -0.270 69.6-135.8 -50.2 123.2 9.8 17.7 22.1 89 149 A M - 0 0 10 90,-0.4 -1,-0.1 -3,-0.1 -6,-0.0 -0.547 21.6 -94.9 -88.4 153.8 6.6 15.9 22.9 90 150 A S > - 0 0 41 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.181 29.1-114.7 -62.9 154.9 5.7 12.3 21.9 91 151 A E H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 118.4 56.4 -54.6 -37.6 3.7 11.5 18.8 92 152 A Q H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.826 106.1 48.3 -67.4 -34.2 1.0 10.1 21.1 93 153 A E H > S+ 0 0 68 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.928 113.7 47.2 -69.0 -47.0 0.7 13.4 23.1 94 154 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.930 111.9 49.8 -59.2 -47.7 0.5 15.4 19.9 95 155 A R H X S+ 0 0 16 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.906 105.9 57.5 -59.2 -42.7 -2.1 13.0 18.4 96 156 A R H X S+ 0 0 90 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.910 112.8 39.4 -51.3 -50.6 -4.2 13.3 21.6 97 157 A F H X S+ 0 0 3 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.892 114.5 54.8 -64.0 -44.8 -4.4 17.1 21.2 98 158 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.859 103.9 54.6 -60.7 -38.0 -4.9 16.8 17.4 99 159 A Q H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.886 108.2 49.3 -62.7 -40.7 -7.9 14.4 17.9 100 160 A Q H X S+ 0 0 5 -4,-1.1 4,-1.7 -5,-0.2 -2,-0.2 0.890 112.7 47.1 -65.2 -43.6 -9.6 17.0 20.1 101 161 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.929 111.2 50.3 -63.3 -50.5 -9.0 19.8 17.6 102 162 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.870 110.2 51.1 -58.6 -40.1 -10.2 17.8 14.6 103 163 A S H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.892 109.6 49.4 -63.7 -41.8 -13.4 16.8 16.4 104 164 A A H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.909 112.9 48.1 -65.9 -39.9 -14.1 20.5 17.3 105 165 A V H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 110.8 50.1 -63.3 -45.6 -13.6 21.4 13.6 106 166 A E H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.912 109.3 52.5 -60.2 -45.8 -15.8 18.6 12.4 107 167 A Y H X S+ 0 0 23 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.925 107.0 52.5 -52.3 -51.1 -18.6 19.7 14.8 108 168 A C H <>S+ 0 0 25 -4,-2.1 5,-1.2 1,-0.2 -1,-0.2 0.879 109.9 49.3 -55.0 -40.6 -18.3 23.3 13.5 109 169 A H H <5S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 108.0 51.7 -65.4 -46.5 -18.8 22.0 9.9 110 170 A R H <5S+ 0 0 99 -4,-2.2 2,-0.2 -5,-0.1 -2,-0.2 0.845 109.7 53.0 -62.4 -42.3 -21.9 19.8 10.6 111 171 A H T <5S- 0 0 77 -4,-1.8 2,-1.6 -5,-0.2 0, 0.0 -0.542 106.8-104.7 -82.7 161.5 -23.8 22.6 12.3 112 172 A K T 5 + 0 0 185 -2,-0.2 2,-0.6 2,-0.0 -3,-0.1 -0.492 58.1 163.5 -94.8 72.9 -24.0 25.7 10.2 113 173 A I < - 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0 0 49 -2,-0.8 6,-0.1 -3,-0.3 -21,-0.1 -0.880 49.2-144.6-102.7 127.6 -2.0 19.9 -0.6 223 289 A V S S+ 0 0 55 -2,-0.5 -68,-0.2 -23,-0.1 -1,-0.1 0.885 87.0 68.2 -61.0 -48.7 -2.1 23.2 -2.6 224 290 A N S > S- 0 0 68 1,-0.2 3,-1.4 -70,-0.1 4,-0.5 -0.698 74.7-155.3 -75.7 112.7 -5.2 22.3 -4.7 225 291 A P T 3 S+ 0 0 12 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.720 90.6 63.2 -64.1 -24.1 -8.1 22.3 -2.0 226 292 A L T 3 S+ 0 0 157 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.664 107.8 43.9 -74.6 -17.8 -10.2 19.9 -4.2 227 293 A N S < S+ 0 0 113 -3,-1.4 -1,-0.2 -5,-0.1 2,-0.1 0.454 90.6 111.0 -96.8 -9.0 -7.4 17.3 -3.7 228 294 A R S S- 0 0 11 -4,-0.5 -8,-0.2 -3,-0.3 -9,-0.1 -0.438 79.9-102.7 -72.0 140.6 -7.0 18.0 0.0 229 295 A I - 0 0 8 -10,-2.0 2,-0.1 -13,-0.1 -1,-0.1 -0.302 41.0-122.4 -56.0 143.3 -8.1 15.3 2.4 230 296 A S > - 0 0 38 1,-0.1 4,-1.9 -3,-0.1 3,-0.2 -0.485 17.6-111.1 -88.3 163.8 -11.4 16.1 4.1 231 297 A I H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -125,-0.1 0.892 118.4 54.1 -57.0 -41.7 -12.0 16.4 7.9 232 298 A H H 4 S+ 0 0 64 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.837 108.8 47.2 -64.5 -35.1 -14.2 13.2 7.8 233 299 A E H >4 S+ 0 0 107 -3,-0.2 3,-1.1 1,-0.2 4,-0.3 0.831 105.5 59.3 -76.8 -35.3 -11.4 11.2 6.1 234 300 A I H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.896 100.9 57.6 -52.3 -42.4 -8.8 12.5 8.6 235 301 A M T 3< S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.641 108.3 45.1 -69.5 -14.2 -11.0 10.9 11.3 236 302 A Q T < S+ 0 0 78 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.321 84.0 126.6-105.4 3.6 -10.7 7.5 9.7 237 303 A D <> - 0 0 21 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 -0.399 66.0-128.2 -68.6 140.4 -7.0 7.7 9.1 238 304 A D T 4 S+ 0 0 135 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.879 109.9 41.7 -55.0 -46.8 -5.0 4.7 10.5 239 305 A W T >4 S+ 0 0 17 -27,-0.2 3,-1.0 1,-0.2 -1,-0.2 0.920 115.0 50.5 -67.0 -47.1 -2.6 7.0 12.4 240 306 A F T 34 S+ 0 0 0 1,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.904 105.2 58.2 -53.4 -47.3 -5.3 9.4 13.6 241 307 A K T >< S+ 0 0 107 -4,-2.7 3,-1.8 -7,-0.1 -1,-0.2 0.541 73.8 118.9 -67.0 -15.7 -7.5 6.6 14.9 242 308 A V T < S- 0 0 58 -3,-1.0 -5,-0.0 -4,-0.4 -3,-0.0 -0.368 95.8 -12.4 -60.6 127.9 -4.9 5.1 17.4 243 309 A D T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.737 92.2 170.0 51.7 31.2 -6.3 5.3 21.0 244 310 A L < - 0 0 30 -3,-1.8 -1,-0.2 1,-0.1 2,-0.2 -0.601 33.4-127.9 -76.8 117.7 -9.1 7.6 19.8 245 311 A P > - 0 0 52 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.483 13.5-131.7 -63.8 137.4 -11.8 8.2 22.4 246 312 A E G > S+ 0 0 132 1,-0.3 3,-1.7 -2,-0.2 7,-0.1 0.771 99.7 70.1 -60.6 -32.9 -15.2 7.4 21.1 247 313 A Y G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -194,-0.0 7,-0.1 0.661 92.6 61.4 -63.5 -16.5 -16.8 10.7 22.4 248 314 A L G < S+ 0 0 2 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.640 84.9 98.9 -83.7 -15.2 -14.7 12.6 19.7 249 315 A L S < S- 0 0 34 -3,-1.7 5,-0.1 -4,-0.2 -146,-0.0 -0.352 78.5-112.6 -73.6 149.1 -16.4 10.8 16.8 250 316 A P >> - 0 0 1 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.462 39.9 -99.7 -74.3 160.0 -19.3 12.3 14.7 251 317 A P T 34 S+ 0 0 84 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 0.810 121.5 56.4 -54.3 -35.5 -22.7 10.6 15.1 252 318 A D T 34 S+ 0 0 97 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.705 111.2 43.4 -69.8 -20.2 -22.3 8.6 11.8 253 319 A L T <4 0 0 44 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.1 0.572 360.0 360.0-100.7 -12.0 -18.9 7.1 13.0 254 320 A K < 0 0 155 -4,-1.0 -1,-0.1 -3,-0.4 -2,-0.1 0.730 360.0 360.0 -63.8 360.0 -19.9 6.2 16.5