==== 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 HYDROLASE 06-MAY-10 3MX1 . COMPND 2 MOLECULE: ECO29KIR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.N.S.MAK,A.R.LAMBERT,B.L.STODDARD . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 8.2 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 . 0 0.0 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 . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A N 0 0 230 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.9 -13.2 -38.3 -55.9 2 4 A K - 0 0 210 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.391 360.0-117.2 -72.5 135.1 -11.5 -39.5 -52.6 3 5 A K - 0 0 150 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.396 21.8-149.1 -75.7 135.3 -13.8 -40.3 -49.7 4 6 A F + 0 0 159 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.913 19.9 170.7-108.3 128.0 -13.7 -38.3 -46.5 5 7 A D > - 0 0 59 -2,-0.5 3,-1.4 1,-0.1 4,-0.2 -0.859 18.4-161.7-138.8 105.4 -14.6 -39.8 -43.1 6 8 A R G > S+ 0 0 175 -2,-0.4 3,-1.9 1,-0.3 4,-0.4 0.775 87.4 61.9 -52.8 -39.3 -13.9 -37.8 -40.1 7 9 A S G > S+ 0 0 56 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.762 92.3 66.0 -69.6 -25.7 -13.9 -40.7 -37.6 8 10 A E G < S+ 0 0 154 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.494 105.3 45.8 -64.8 -5.4 -10.9 -42.3 -39.4 9 11 A H G < S+ 0 0 142 -3,-1.9 2,-0.5 -4,-0.2 -1,-0.2 0.467 86.9 108.4-118.5 -3.5 -8.9 -39.2 -38.2 10 12 A V < - 0 0 47 -3,-0.8 2,-0.2 -4,-0.4 -3,-0.0 -0.616 67.3-132.9 -89.0 120.4 -10.0 -39.1 -34.5 11 13 A Y - 0 0 157 -2,-0.5 2,-0.5 1,-0.1 -2,-0.1 -0.477 21.0-126.6 -70.0 137.4 -7.5 -40.2 -32.0 12 14 A R - 0 0 144 -2,-0.2 3,-0.4 1,-0.1 4,-0.3 -0.749 13.7-155.2 -89.7 127.6 -9.0 -42.8 -29.5 13 15 A N > + 0 0 92 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.501 65.3 99.7 -82.4 -5.2 -8.4 -41.6 -25.9 14 16 A D H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 84.1 42.4 -57.0 -50.3 -8.6 -45.0 -24.2 15 17 A S H > S+ 0 0 91 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.901 114.4 52.2 -64.5 -38.9 -4.9 -45.7 -23.7 16 18 A F H > S+ 0 0 73 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.901 109.3 50.6 -62.3 -38.9 -4.2 -42.1 -22.7 17 19 A L H X S+ 0 0 85 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.876 109.7 50.2 -66.2 -35.6 -6.9 -42.4 -20.1 18 20 A E H X S+ 0 0 105 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.878 110.0 51.5 -66.4 -35.8 -5.4 -45.6 -18.8 19 21 A L H X S+ 0 0 89 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.896 107.9 50.3 -72.8 -40.0 -2.1 -43.9 -18.6 20 22 A I H X S+ 0 0 19 -4,-2.3 4,-1.8 2,-0.2 3,-0.3 0.948 111.1 49.2 -61.7 -48.8 -3.4 -40.9 -16.6 21 23 A K H X S+ 0 0 127 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.886 109.8 51.8 -58.5 -42.7 -5.1 -43.4 -14.1 22 24 A D H X S+ 0 0 81 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.843 107.9 53.0 -59.1 -33.2 -1.8 -45.2 -13.8 23 25 A A H X S+ 0 0 20 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.855 108.4 49.8 -73.8 -32.7 -0.1 -41.9 -13.1 24 26 A V H X S+ 0 0 13 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.883 110.0 50.0 -67.2 -42.1 -2.6 -41.2 -10.3 25 27 A R H X S+ 0 0 185 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.886 110.4 49.7 -64.4 -41.9 -2.0 -44.6 -8.8 26 28 A F H >< S+ 0 0 134 -4,-2.2 3,-0.8 1,-0.2 4,-0.5 0.948 110.3 52.4 -57.3 -48.7 1.8 -43.9 -8.9 27 29 A F H >< S+ 0 0 4 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.875 107.8 51.5 -50.2 -42.0 1.1 -40.5 -7.2 28 30 A S H 3< S+ 0 0 41 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.704 107.0 52.5 -74.5 -30.0 -0.9 -42.3 -4.4 29 31 A G T << S+ 0 0 68 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.443 85.3 107.5 -88.9 -3.6 1.8 -44.8 -3.6 30 32 A T S < S- 0 0 19 -3,-1.1 2,-0.1 -4,-0.5 96,-0.1 -0.322 85.5 -81.1 -75.9 159.5 4.5 -42.1 -3.2 31 33 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 94,-0.3 -0.362 39.5-131.4 -59.0 134.7 5.8 -41.3 0.4 32 34 A V - 0 0 44 92,-0.1 2,-0.3 -3,-0.1 92,-0.2 -0.729 31.6-171.1 -82.3 134.5 3.7 -38.9 2.5 33 35 A H E -A 123 0A 71 90,-2.8 90,-2.4 -2,-0.4 0, 0.0 -0.833 28.0 -92.9-121.3 167.7 5.9 -36.2 4.1 34 36 A S E -A 122 0A 66 -2,-0.3 88,-0.2 88,-0.2 -1,-0.1 -0.198 61.8 -79.3 -66.0 163.9 5.3 -33.5 6.6 35 37 A L S S+ 0 0 7 86,-0.9 86,-0.2 83,-0.4 -1,-0.1 -0.975 127.7 23.9-110.4 116.2 4.4 -30.1 5.2 36 38 A P S S- 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.760 108.2-121.0 -74.0 160.8 7.0 -28.8 4.2 37 39 A P - 0 0 8 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.207 27.5-101.9 -65.9 163.4 9.0 -32.0 3.6 38 40 A P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.643 100.1 35.4 -64.1 -17.6 12.3 -32.5 5.5 39 41 A E S S- 0 0 149 61,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.949 75.2-122.4-136.6 151.4 14.5 -31.5 2.5 40 42 A R + 0 0 169 -2,-0.3 2,-0.3 -4,-0.1 57,-0.0 -0.574 37.5 178.2 -79.4 157.9 14.5 -29.2 -0.5 41 43 A F - 0 0 43 -2,-0.2 59,-0.4 56,-0.1 2,-0.3 -0.974 27.5-104.4-156.7 164.3 14.8 -30.8 -3.9 42 44 A Q + 0 0 158 -2,-0.3 55,-0.3 57,-0.1 2,-0.2 -0.671 62.6 78.0 -91.7 150.1 14.9 -29.9 -7.6 43 45 A G - 0 0 9 53,-2.0 56,-2.3 52,-0.3 57,-0.4 -0.458 58.7-114.1 136.5 153.4 12.0 -30.5 -10.0 44 46 A A + 0 0 3 84,-0.5 84,-2.0 54,-0.2 2,-0.3 -0.787 57.1 100.4-103.6 157.3 8.6 -29.3 -11.4 45 47 A G E -BC 78 127A 0 33,-2.2 33,-2.3 -2,-0.3 2,-0.3 -0.985 61.6 -43.9 166.7-143.1 5.5 -31.4 -10.9 46 48 A V E -BC 77 126A 0 80,-2.3 80,-2.8 -2,-0.3 2,-0.4 -0.889 40.7-174.3-128.2 143.6 2.2 -32.0 -8.9 47 49 A Y E -BC 76 125A 2 29,-2.5 29,-2.3 -2,-0.3 2,-0.4 -0.976 10.7-157.1-137.8 153.8 1.4 -32.0 -5.2 48 50 A A E -BC 75 124A 0 76,-2.7 76,-2.0 -2,-0.4 2,-0.4 -0.988 9.6-148.3-127.3 147.2 -1.4 -32.7 -2.8 49 51 A L E -BC 74 123A 0 25,-3.0 24,-2.8 -2,-0.4 25,-1.3 -0.909 13.3-163.3-110.8 134.8 -2.0 -31.4 0.7 50 52 A Y E - C 0 122A 7 72,-2.8 72,-1.9 -2,-0.4 2,-0.4 -0.945 5.2-154.6-120.4 146.3 -3.8 -33.5 3.4 51 53 A Y E + C 0 121A 2 20,-0.5 70,-0.2 -2,-0.4 14,-0.2 -0.917 20.7 164.4-116.9 139.5 -5.3 -32.5 6.7 52 54 A T + 0 0 34 68,-2.1 69,-0.1 -2,-0.4 -1,-0.1 0.169 47.6 100.4-138.6 14.2 -5.8 -34.8 9.7 53 55 A G S S- 0 0 0 67,-0.5 9,-0.4 64,-0.1 8,-0.1 -0.027 74.0-110.4 -94.8-160.5 -6.5 -32.4 12.5 54 56 A H + 0 0 130 7,-0.1 5,-0.2 8,-0.1 2,-0.1 0.083 49.9 144.7-129.0 16.1 -9.6 -31.1 14.4 55 57 A Y >> - 0 0 53 1,-0.1 3,-1.3 3,-0.1 4,-0.6 -0.470 63.3-117.3 -54.2 131.3 -10.2 -27.4 13.5 56 58 A S G >4 S+ 0 0 84 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.836 108.0 50.6 -57.5 -41.6 -14.0 -27.7 13.6 57 59 A L G 34 S+ 0 0 31 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.832 123.5 32.8 -58.4 -32.7 -14.9 -27.0 10.0 58 60 A Y G X4 S+ 0 0 0 -3,-1.3 3,-2.2 1,-0.2 4,-0.4 0.279 82.2 110.0-110.3 7.1 -12.4 -29.5 8.8 59 61 A D T X< + 0 0 50 -3,-1.0 3,-1.3 -4,-0.6 4,-0.5 0.745 64.3 73.5 -75.6 -14.5 -12.5 -32.1 11.5 60 62 A E T >> S+ 0 0 71 -4,-0.3 4,-2.8 1,-0.2 3,-0.9 0.782 86.6 67.2 -52.2 -30.3 -14.2 -34.7 9.2 61 63 A Y H <> S+ 0 0 0 -3,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.809 88.2 64.6 -64.7 -27.1 -10.8 -35.0 7.5 62 64 A S H <4 S+ 0 0 10 -3,-1.3 -1,-0.2 -9,-0.4 -2,-0.2 0.806 111.4 37.3 -70.9 -25.8 -9.4 -36.6 10.8 63 65 A R H X4 S+ 0 0 131 -3,-0.9 3,-1.8 -4,-0.5 4,-0.4 0.872 116.9 49.0 -82.5 -49.4 -11.9 -39.4 10.1 64 66 A I H 3< S+ 0 0 51 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.915 124.0 33.9 -58.8 -39.3 -11.6 -39.6 6.3 65 67 A N T 3< S+ 0 0 5 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.1 0.046 87.6 107.9-105.7 22.9 -7.8 -39.6 6.6 66 68 A R S < S+ 0 0 187 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.867 93.1 23.0 -63.9 -39.5 -7.5 -41.6 9.9 67 69 A L S S+ 0 0 165 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.2 0.471 134.7 4.1-111.7 -7.9 -6.2 -44.8 8.3 68 70 A A S S- 0 0 43 -4,-0.1 2,-1.3 3,-0.0 -1,-0.3 -0.946 79.7 -98.1-172.1 150.5 -4.6 -43.6 5.0 69 71 A Y + 0 0 78 -2,-0.3 -4,-0.1 1,-0.2 -17,-0.0 -0.737 66.0 145.2 -82.6 95.8 -4.0 -40.3 3.3 70 72 A N + 0 0 81 -2,-1.3 -1,-0.2 1,-0.2 -5,-0.1 0.863 49.5 44.7-102.2 -50.7 -7.0 -40.6 1.1 71 73 A L - 0 0 25 -3,-0.3 -20,-0.5 -10,-0.1 -1,-0.2 -0.897 66.5-149.1-114.4 113.4 -8.5 -37.2 0.6 72 74 A P - 0 0 2 0, 0.0 78,-0.5 0, 0.0 -22,-0.3 -0.351 8.1-156.4 -72.1 153.4 -6.5 -34.0 -0.3 73 75 A I S S+ 0 0 0 -24,-2.8 78,-3.1 1,-0.4 2,-0.3 0.601 85.1 16.7 -95.2 -22.1 -7.7 -30.6 0.9 74 76 A Y E -B 49 0A 25 -25,-1.3 -25,-3.0 76,-0.2 2,-0.4 -0.982 59.8-170.5-154.7 137.1 -5.7 -29.1 -2.0 75 77 A V E +B 48 0A 0 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.994 22.2 154.4-126.0 133.0 -4.0 -30.1 -5.2 76 78 A G E -B 47 0A 2 -29,-2.3 -29,-2.5 -2,-0.4 2,-0.3 -0.913 30.1-130.8-141.4 179.4 -1.7 -27.9 -7.3 77 79 A K E -B 46 0A 52 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.2 -0.918 7.3-157.3-125.9 161.1 1.2 -27.9 -9.7 78 80 A A E +B 45 0A 10 -33,-2.3 -33,-2.2 -2,-0.3 21,-0.2 -0.976 20.9 165.1-135.8 119.8 4.5 -26.0 -9.8 79 81 A V - 0 0 26 -2,-0.4 2,-0.1 -35,-0.2 18,-0.0 -0.898 44.2 -91.1-126.0 157.8 6.3 -25.5 -13.2 80 82 A P >> - 0 0 13 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.436 36.1-115.5 -68.1 151.9 9.1 -23.1 -14.1 81 83 A A T 34 S+ 0 0 90 1,-0.3 3,-0.1 2,-0.2 14,-0.0 0.700 111.3 74.6 -57.8 -19.8 8.0 -19.6 -15.4 82 84 A G T 34 S+ 0 0 35 1,-0.2 9,-0.6 3,-0.1 -1,-0.3 0.633 93.9 48.7 -66.8 -19.9 9.7 -20.7 -18.7 83 85 A W T <4 S+ 0 0 72 -3,-2.0 2,-0.2 7,-0.2 -1,-0.2 0.701 93.8 83.3 -96.9 -28.3 6.8 -23.1 -19.6 84 86 A R S < S- 0 0 142 -4,-0.8 2,-0.2 -3,-0.1 6,-0.0 -0.591 103.0 -96.4 -62.8 137.6 4.1 -20.4 -18.8 85 87 A Q + 0 0 64 -2,-0.2 -2,-0.1 2,-0.1 4,-0.1 -0.454 68.0 137.7 -72.8 128.0 3.9 -18.4 -22.0 86 88 A S S S- 0 0 85 -2,-0.2 -1,-0.1 -4,-0.2 -2,-0.1 0.223 108.7 -39.3-176.3 45.1 5.9 -15.1 -22.2 87 89 A R S S+ 0 0 87 -4,-0.1 2,-0.3 -5,-0.0 -2,-0.1 0.240 123.1 62.0-129.6 118.3 6.5 -16.2 -24.9 88 90 A I - 0 0 31 -5,-0.1 3,-0.2 1,-0.1 -2,-0.1 -0.933 54.6-132.9-174.9 153.5 7.2 -19.9 -25.4 89 91 A S S S- 0 0 80 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.793 99.8 -18.4 -80.0 -34.7 5.7 -23.5 -25.1 90 92 A D S S+ 0 0 57 -6,-0.0 2,-0.4 -8,-0.0 -1,-0.2 -0.568 70.8 178.6-176.0 113.8 8.9 -24.8 -23.3 91 93 A H + 0 0 172 -9,-0.6 2,-0.2 -3,-0.2 -9,-0.0 -0.906 39.5 33.3-134.9 102.1 12.4 -23.1 -23.3 92 94 A E S S- 0 0 72 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.656 75.6 -83.8 143.9 166.3 15.6 -24.3 -21.5 93 95 A T S S- 0 0 118 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.998 98.6 -12.3 -58.0 -77.7 17.8 -27.2 -20.2 94 96 A R - 0 0 73 -51,-0.0 2,-0.6 0, 0.0 -1,-0.2 -0.884 63.3-120.8-130.8 160.5 16.2 -28.1 -16.8 95 97 A A - 0 0 21 -2,-0.3 -52,-0.3 34,-0.2 3,-0.2 -0.904 31.7-143.7-116.2 110.9 13.6 -26.5 -14.5 96 98 A G - 0 0 34 -2,-0.6 -53,-2.0 1,-0.2 -1,-0.2 0.779 52.7 -37.3 -42.1 -96.2 15.1 -25.8 -11.0 97 99 A S S > S+ 0 0 40 -55,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.147 76.0 132.6-137.9 45.8 13.1 -26.1 -7.7 98 100 A E H > S+ 0 0 54 2,-0.2 4,-2.7 -3,-0.2 -54,-0.2 0.876 75.3 49.3 -64.1 -41.0 9.5 -24.9 -8.3 99 101 A L H > S+ 0 0 0 -56,-2.3 4,-2.9 -21,-0.2 5,-0.2 0.977 112.9 44.6 -68.5 -54.0 7.8 -27.8 -6.6 100 102 A S H > S+ 0 0 1 -57,-0.4 4,-2.5 -59,-0.4 -1,-0.2 0.909 117.6 46.7 -51.2 -45.6 9.8 -27.7 -3.4 101 103 A N H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.892 110.4 50.5 -71.6 -42.7 9.5 -23.9 -3.2 102 104 A R H X S+ 0 0 42 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.930 113.0 47.5 -60.3 -44.2 5.8 -23.9 -4.0 103 105 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.939 110.8 50.5 -59.9 -46.3 5.2 -26.5 -1.2 104 106 A R H X S+ 0 0 61 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.906 108.2 55.3 -59.3 -40.3 7.4 -24.6 1.4 105 107 A E H X S+ 0 0 45 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.881 104.7 50.2 -62.4 -42.6 5.4 -21.5 0.5 106 108 A H H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.895 107.3 57.2 -57.8 -43.6 2.1 -23.2 1.4 107 109 A G H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.864 108.3 45.4 -53.2 -44.5 3.7 -24.3 4.7 108 110 A R H X S+ 0 0 143 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.842 109.7 54.2 -71.4 -37.2 4.4 -20.6 5.6 109 111 A N H < S+ 0 0 13 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.880 113.0 44.9 -60.3 -36.0 0.9 -19.4 4.6 110 112 A I H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 6,-0.3 0.924 108.3 54.6 -75.9 -43.8 -0.4 -22.0 6.9 111 113 A A H 3< S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 102.8 61.9 -60.9 -20.2 2.0 -21.2 9.7 112 114 A K T 3< S+ 0 0 92 -4,-1.3 -1,-0.3 -5,-0.1 2,-0.2 0.629 89.2 84.0 -80.5 -14.4 0.7 -17.5 9.4 113 115 A T < - 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0 0 106 -4,-2.0 5,-0.2 -5,-0.5 -4,-0.1 0.933 29.8-141.6 48.6 54.6 -12.7 -32.4 -5.9 149 151 A P >> - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-1.8 -0.136 7.4-123.8 -57.2 137.6 -10.3 -31.0 -3.1 150 152 A L H 3>>S+ 0 0 0 -78,-0.5 4,-2.1 1,-0.3 5,-2.0 0.863 109.3 48.7 -48.8 -47.3 -12.1 -28.5 -0.9 151 153 A W H 345S+ 0 0 5 -78,-3.1 6,-0.3 1,-0.2 -1,-0.3 0.455 115.5 46.4 -83.2 4.5 -9.6 -25.7 -1.4 152 154 A N H <45S+ 0 0 36 -3,-2.4 -1,-0.2 -79,-0.2 -2,-0.2 0.633 127.0 20.8 -97.8 -29.8 -9.8 -26.2 -5.2 153 155 A T H <5S+ 0 0 59 -4,-1.8 -3,-0.2 -3,-0.2 -2,-0.2 0.641 132.1 19.4-120.6 -16.5 -13.6 -26.5 -5.7 154 156 A V T <5S+ 0 0 31 -4,-2.1 2,-0.8 -5,-0.4 -3,-0.2 0.762 121.1 38.2-126.2 -55.4 -15.5 -24.9 -2.7 155 157 A V S + 0 0 7 -6,-0.3 3,-2.0 17,-0.2 -1,-0.2 0.051 56.0 110.5 126.4 -26.7 -8.1 -18.5 -2.5 158 160 A F T 3 S+ 0 0 0 -3,-0.4 -2,-0.1 -7,-0.3 -6,-0.1 0.842 84.4 48.0 -49.7 -40.6 -5.3 -20.5 -0.9 159 161 A G T 3 S+ 0 0 13 -8,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.403 89.1 108.5 -85.8 2.9 -3.0 -20.4 -3.9 160 162 A N < - 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