==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-10 3NIQ . COMPND 2 MOLECULE: 3-GUANIDINOPROPIONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.J.LEE,H.S.KIM,D.J.KIM,H.J.YOON,K.H.KIM,J.Y.YOON,J.Y.JANG,H . 628 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 55 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 3 4 2 0 0 1 0 0 0 0 2 0 0 1 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 3 5 3 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 4 A D 0 0 186 0, 0.0 3,-0.1 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0 27.2 -49.8 7.9 -17.1 2 5 A H - 0 0 55 1,-0.1 79,-0.1 76,-0.1 75,-0.1 -0.364 360.0 -88.4 -62.4 152.7 -46.5 6.9 -18.7 3 6 A P - 0 0 13 0, 0.0 79,-0.3 0, 0.0 -1,-0.1 -0.381 50.9-162.2 -57.6 147.4 -46.6 3.5 -20.5 4 7 A Q - 0 0 75 -3,-0.1 3,-0.1 18,-0.1 77,-0.0 -0.977 20.8-104.2-133.0 149.2 -45.8 0.7 -18.0 5 8 A P - 0 0 20 0, 0.0 18,-0.2 0, 0.0 17,-0.2 -0.245 58.6 -74.2 -60.5 158.9 -44.6 -2.9 -18.6 6 9 A L - 0 0 64 16,-1.9 2,-0.7 15,-0.1 17,-0.0 -0.289 59.2-103.6 -51.4 136.3 -47.2 -5.6 -18.1 7 10 A D >> - 0 0 83 1,-0.2 4,-2.7 -3,-0.1 3,-2.0 -0.585 28.4-160.0 -73.3 111.5 -47.7 -6.1 -14.4 8 11 A A T 34 S+ 0 0 35 -2,-0.7 -1,-0.2 1,-0.3 5,-0.2 0.620 89.1 67.6 -69.0 -15.1 -45.8 -9.2 -13.3 9 12 A A T 34 S+ 0 0 91 1,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.598 119.1 23.0 -74.5 -10.7 -47.9 -9.5 -10.2 10 13 A E T <4 S+ 0 0 159 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.609 128.0 41.8-125.8 -34.5 -50.8 -10.2 -12.5 11 14 A I S < S- 0 0 58 -4,-2.7 -1,-0.3 4,-0.1 4,-0.0 -0.962 85.9-127.3-126.4 110.2 -49.3 -11.6 -15.8 12 15 A P > - 0 0 61 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.194 24.4-111.4 -64.9 156.2 -46.5 -14.0 -15.3 13 16 A R T 3 S+ 0 0 72 1,-0.3 52,-0.1 -5,-0.2 50,-0.1 0.591 114.7 58.4 -66.6 -12.8 -43.2 -13.2 -17.2 14 17 A F T 3 S+ 0 0 189 50,-0.0 -1,-0.3 4,-0.0 2,-0.2 0.509 103.0 68.2 -91.7 -4.6 -43.5 -16.1 -19.6 15 18 A A < + 0 0 32 -3,-2.1 -4,-0.1 48,-0.1 2,-0.0 -0.637 69.4 54.6-114.5 167.1 -46.9 -14.8 -20.8 16 19 A G S S- 0 0 42 -2,-0.2 6,-0.0 2,-0.1 -5,-0.0 0.080 96.5 -53.2 89.0 156.0 -48.1 -11.8 -22.8 17 20 A I - 0 0 144 1,-0.1 2,-1.8 5,-0.1 -2,-0.1 -0.428 62.9-117.7 -66.3 130.2 -47.0 -10.6 -26.2 18 21 A P + 0 0 59 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.482 52.6 152.3 -82.6 80.6 -43.2 -10.3 -26.1 19 22 A T > - 0 0 22 -2,-1.8 3,-2.8 4,-0.2 6,-0.1 -0.566 63.1 -66.3 -90.1 165.6 -42.5 -6.6 -26.7 20 23 A F G > S- 0 0 0 1,-0.3 3,-2.1 -2,-0.2 -1,-0.1 -0.315 122.7 -10.9 -53.7 126.3 -39.3 -4.9 -25.3 21 24 A M G 3 S- 0 0 6 1,-0.3 -1,-0.3 38,-0.3 -15,-0.1 0.668 117.4 -81.0 56.5 18.4 -39.7 -4.9 -21.5 22 25 A R G < S+ 0 0 6 -3,-2.8 -16,-1.9 37,-0.2 -1,-0.3 0.835 90.2 150.2 53.3 38.0 -43.3 -6.0 -22.1 23 26 A L < - 0 0 4 -3,-2.1 -1,-0.2 -18,-0.2 -4,-0.2 -0.407 55.3 -82.0 -86.8 168.2 -44.2 -2.4 -22.8 24 27 A P - 0 0 56 0, 0.0 60,-2.3 0, 0.0 2,-0.3 -0.398 47.5-113.1 -65.6 151.7 -47.0 -1.2 -25.1 25 28 A A B -a 84 0A 76 58,-0.2 2,-0.3 60,-0.1 60,-0.2 -0.712 34.7-167.8 -87.1 140.8 -46.1 -1.1 -28.8 26 29 A F - 0 0 50 58,-3.3 57,-0.0 -2,-0.3 6,-0.0 -0.937 25.4-175.0-130.2 151.1 -46.0 2.3 -30.5 27 30 A T S S+ 0 0 140 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.518 73.5 71.6-116.7 -17.9 -45.9 3.5 -34.1 28 31 A D > - 0 0 88 1,-0.1 3,-1.8 84,-0.0 4,-0.2 -0.903 63.0-158.6-108.4 113.2 -45.5 7.2 -33.5 29 32 A P G > S+ 0 0 21 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.821 90.8 67.1 -55.3 -35.2 -42.1 8.3 -32.1 30 33 A A G 3 S+ 0 0 65 1,-0.3 79,-0.0 -3,-0.1 -2,-0.0 0.694 87.8 67.3 -62.0 -20.7 -43.7 11.6 -30.8 31 34 A A G < S+ 0 0 26 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.628 103.0 55.6 -71.4 -11.2 -45.7 9.5 -28.3 32 35 A L < - 0 0 7 -3,-2.2 50,-0.2 -4,-0.2 3,-0.2 -0.862 55.1-160.0-129.1 154.9 -42.4 8.6 -26.5 33 36 A Q S S+ 0 0 51 48,-2.6 82,-2.5 1,-0.4 2,-0.4 0.715 97.7 28.2 -98.7 -30.5 -39.3 10.2 -24.9 34 37 A V E S-bc 82 115A 0 47,-2.2 49,-1.4 80,-0.2 2,-0.5 -0.985 78.7-157.1-130.2 121.2 -37.2 7.0 -25.2 35 38 A G E -bc 83 116A 0 80,-2.4 82,-3.1 -2,-0.4 2,-0.6 -0.864 7.2-147.9-101.6 128.4 -38.0 4.6 -28.1 36 39 A L E -bc 84 117A 0 47,-2.8 49,-2.3 -2,-0.5 2,-0.4 -0.857 29.5-179.1 -96.0 116.2 -37.0 1.0 -27.9 37 40 A I E - c 0 118A 0 80,-2.3 82,-2.7 -2,-0.6 2,-0.4 -0.954 23.6-146.6-128.4 136.2 -36.2 -0.1 -31.5 38 41 A G E -bc 87 119A 0 48,-2.1 50,-2.8 -2,-0.4 82,-0.2 -0.783 5.4-168.4 -95.1 141.1 -35.1 -3.3 -33.2 39 42 A V E - c 0 120A 0 80,-3.3 2,-2.1 -2,-0.4 82,-0.6 -0.727 6.3-171.2-125.4 85.9 -32.8 -3.2 -36.2 40 43 A P + 0 0 29 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.474 40.3 122.3 -82.0 77.8 -33.0 -6.8 -37.6 41 44 A W + 0 0 3 -2,-2.1 81,-2.2 10,-0.3 80,-0.6 -0.985 27.4 162.1-149.0 122.2 -30.2 -6.4 -40.1 42 45 A D > + 0 0 5 -2,-0.4 3,-2.1 79,-0.2 120,-0.1 0.073 38.3 123.4-131.4 27.2 -26.9 -8.3 -40.7 43 46 A G T 3 S+ 0 0 20 1,-0.3 52,-0.1 79,-0.1 -1,-0.1 0.779 74.1 60.1 -54.3 -29.1 -26.2 -7.3 -44.3 44 47 A G T 3 S+ 0 0 0 117,-0.1 118,-2.4 -3,-0.1 2,-0.5 0.462 77.7 119.6 -79.3 -0.6 -22.8 -5.9 -43.1 45 48 A T < + 0 0 1 -3,-2.1 4,-0.1 116,-0.2 -3,-0.1 -0.544 36.6 179.7 -80.0 122.7 -21.7 -9.3 -41.7 46 49 A T S S+ 0 0 33 -2,-0.5 -1,-0.1 2,-0.1 3,-0.1 0.617 75.4 16.0 -93.2 -14.9 -18.5 -10.7 -43.3 47 50 A N S S+ 0 0 80 1,-0.2 2,-0.7 361,-0.1 204,-0.1 0.411 123.7 12.0-122.9-102.5 -18.3 -13.9 -41.3 48 51 A R - 0 0 66 202,-0.4 3,-0.2 320,-0.0 -1,-0.2 -0.761 69.3-163.2 -93.8 112.2 -21.1 -15.6 -39.2 49 52 A A + 0 0 4 -2,-0.7 -6,-0.1 1,-0.1 234,-0.0 -0.256 47.1 102.5 -81.8 176.5 -24.5 -14.0 -39.9 50 53 A G > + 0 0 4 235,-0.1 3,-2.1 234,-0.1 4,-0.2 0.213 40.7 113.5 133.8 -12.3 -27.6 -14.3 -37.8 51 54 A A G > + 0 0 1 1,-0.3 3,-1.6 -3,-0.2 -10,-0.3 0.656 62.4 83.2 -62.0 -13.9 -27.8 -10.9 -35.9 52 55 A R G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -12,-0.2 4,-0.3 0.791 91.5 49.8 -58.5 -25.6 -31.0 -10.3 -38.0 53 56 A H G <> S+ 0 0 40 -3,-2.1 4,-1.8 1,-0.2 3,-0.3 0.519 85.3 94.5 -89.4 -7.0 -32.7 -12.4 -35.3 54 57 A G H <> S+ 0 0 0 -3,-1.6 4,-2.8 228,-0.4 5,-0.3 0.899 79.0 52.5 -55.6 -47.8 -31.3 -10.5 -32.3 55 58 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.891 108.1 51.7 -62.3 -36.1 -34.1 -8.1 -31.8 56 59 A R H > S+ 0 0 182 -3,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.939 114.5 41.6 -63.1 -45.6 -36.7 -10.8 -31.6 57 60 A E H X S+ 0 0 67 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.852 112.8 53.1 -77.3 -31.4 -34.9 -12.8 -29.0 58 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.901 108.9 51.1 -64.1 -39.1 -33.8 -9.8 -27.0 59 62 A R H < S+ 0 0 30 -4,-2.3 4,-0.4 -5,-0.3 -38,-0.3 0.961 111.6 49.6 -57.6 -47.8 -37.6 -8.8 -26.9 60 63 A N H >< S+ 0 0 78 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.937 114.8 39.9 -56.3 -55.4 -38.3 -12.3 -25.7 61 64 A L H >< S+ 0 0 33 -4,-2.7 3,-2.3 1,-0.2 -1,-0.2 0.735 97.8 77.7 -69.6 -24.2 -35.7 -12.4 -22.9 62 65 A S G >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.633 73.2 83.6 -63.0 -11.8 -36.4 -8.8 -21.9 63 66 A S G < S+ 0 0 12 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.699 82.0 62.9 -56.8 -21.4 -39.5 -10.2 -20.2 64 67 A L G < S+ 0 0 74 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.609 81.4 102.1 -83.5 -11.9 -37.2 -11.0 -17.3 65 68 A M < - 0 0 32 -3,-1.5 2,-0.1 -4,-0.2 233,-0.0 -0.464 60.4-149.5 -75.0 144.4 -36.4 -7.3 -16.6 66 69 A R - 0 0 169 -2,-0.2 -1,-0.1 2,-0.1 3,-0.0 -0.312 25.2 -99.3-105.2-171.3 -38.2 -5.6 -13.7 67 70 A K S S+ 0 0 104 1,-0.1 2,-0.4 -2,-0.1 10,-0.4 0.709 94.2 47.6 -87.4 -21.1 -39.3 -2.0 -13.1 68 71 A V S S- 0 0 76 7,-0.2 2,-0.3 8,-0.1 7,-0.2 -0.974 74.9-122.5-134.3 134.5 -36.5 -0.6 -11.0 69 72 A H > - 0 0 7 5,-2.6 4,-1.3 -2,-0.4 -2,-0.0 -0.544 22.1-145.2 -71.5 132.0 -32.7 -0.6 -11.0 70 73 A H T 4 S+ 0 0 153 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.691 92.1 34.0 -81.7 -16.8 -31.4 -2.1 -7.8 71 74 A V T 4 S+ 0 0 83 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.878 130.3 28.4 -96.9 -58.6 -28.3 0.1 -7.4 72 75 A S T 4 S- 0 0 28 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.735 90.3-140.9 -77.1 -22.9 -29.3 3.4 -8.9 73 76 A R < + 0 0 203 -4,-1.3 2,-0.2 1,-0.3 -3,-0.1 0.636 43.6 158.9 64.3 16.0 -33.0 3.0 -8.0 74 77 A I - 0 0 8 1,-0.1 -5,-2.6 -6,-0.1 -1,-0.3 -0.499 30.3-160.8 -62.1 133.0 -33.9 4.7 -11.3 75 78 A A >> - 0 0 19 -7,-0.2 4,-2.2 -2,-0.2 3,-1.2 -0.853 8.3-170.7-117.6 89.5 -37.4 3.7 -12.3 76 79 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.815 78.9 52.8 -56.2 -40.8 -37.2 4.5 -16.1 77 80 A Y H 34 S+ 0 0 3 -10,-0.4 5,-0.2 1,-0.2 -75,-0.1 0.727 112.2 45.8 -73.1 -23.5 -40.9 4.2 -16.9 78 81 A D H <4 S+ 0 0 107 -3,-1.2 -1,-0.2 1,-0.1 -76,-0.1 0.856 112.3 52.3 -79.9 -39.9 -41.9 6.6 -14.1 79 82 A L H < S- 0 0 75 -4,-2.2 2,-0.3 1,-0.1 -2,-0.2 0.912 125.7 -9.2 -60.2 -48.1 -39.2 9.1 -15.1 80 83 A V S < S- 0 0 0 -4,-2.4 2,-0.6 -5,-0.2 -1,-0.1 -0.868 82.0 -79.1-146.1 173.4 -40.2 9.3 -18.8 81 84 A R + 0 0 68 -2,-0.3 -48,-2.6 -79,-0.1 -47,-2.2 -0.753 48.5 179.3 -85.8 117.6 -42.3 7.8 -21.5 82 85 A V E + b 0 34A 0 -2,-0.6 2,-0.3 -79,-0.3 -47,-0.2 -0.917 5.9 160.6-119.4 140.9 -40.8 4.5 -22.8 83 86 A G E - b 0 35A 0 -49,-1.4 -47,-2.8 -2,-0.4 2,-0.9 -0.987 46.1-100.7-155.3 163.1 -42.2 2.3 -25.5 84 87 A D E -ab 25 36A 5 -60,-2.3 -58,-3.3 -2,-0.3 -47,-0.2 -0.816 31.3-171.7 -88.3 107.5 -41.6 -0.5 -28.1 85 88 A L E - 0 0 8 -49,-2.3 -48,-0.1 -2,-0.9 -1,-0.1 0.267 35.3-125.5 -85.2 11.2 -41.3 1.4 -31.3 86 89 A G E - 0 0 26 -50,-0.4 -48,-2.1 -66,-0.0 2,-0.4 -0.411 46.6 -39.9 79.9-160.4 -41.2 -1.8 -33.4 87 90 A D E - b 0 38A 68 -50,-0.2 -48,-0.2 -3,-0.1 3,-0.1 -0.869 54.1-113.5-107.6 141.6 -38.4 -2.5 -35.9 88 91 A A - 0 0 4 -50,-2.8 2,-0.2 -2,-0.4 14,-0.1 -0.327 48.9 -91.7 -59.6 148.5 -36.7 -0.2 -38.3 89 92 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 16,-0.1 -0.484 54.9-178.0 -66.0 137.2 -37.5 -1.1 -42.0 90 93 A V - 0 0 26 -2,-0.2 5,-0.1 11,-0.1 8,-0.1 -0.959 26.8-154.1-139.7 151.8 -34.8 -3.5 -43.4 91 94 A N > - 0 0 0 -2,-0.3 3,-0.6 3,-0.2 7,-0.3 -0.917 5.3-166.4-129.9 103.7 -34.0 -5.2 -46.7 92 95 A P T 3 S+ 0 0 32 0, 0.0 3,-0.1 0, 0.0 269,-0.1 0.636 88.1 47.1 -66.2 -14.0 -32.1 -8.5 -46.2 93 96 A I T 3 S+ 0 0 15 1,-0.2 2,-0.5 267,-0.1 318,-0.2 0.711 110.6 48.0 -97.2 -26.6 -31.1 -8.7 -50.0 94 97 A D <> - 0 0 48 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 -0.930 56.9-172.0-132.5 103.6 -30.0 -5.1 -50.6 95 98 A L H > S+ 0 0 24 -2,-0.5 4,-2.3 314,-0.2 -1,-0.2 0.889 88.3 49.2 -63.2 -46.0 -27.5 -3.5 -48.2 96 99 A L H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 110.5 51.3 -66.6 -39.1 -27.6 0.0 -49.7 97 100 A D H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 109.4 50.4 -62.8 -40.0 -31.4 -0.0 -49.7 98 101 A S H X S+ 0 0 0 -4,-1.9 4,-3.4 -7,-0.3 5,-0.3 0.934 107.9 53.3 -64.1 -43.4 -31.4 -1.0 -46.0 99 102 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.907 112.1 45.3 -54.4 -47.8 -29.0 1.8 -45.1 100 103 A R H X S+ 0 0 160 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.937 115.9 45.1 -60.8 -49.4 -31.3 4.3 -46.8 101 104 A R H X S+ 0 0 71 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 112.7 50.5 -67.3 -40.6 -34.5 2.9 -45.1 102 105 A I H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.930 110.7 48.2 -64.3 -45.8 -32.9 2.6 -41.7 103 106 A E H X S+ 0 0 29 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.893 108.2 56.0 -59.8 -42.0 -31.6 6.2 -41.7 104 107 A G H X S+ 0 0 36 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.910 108.3 48.3 -58.1 -43.0 -35.1 7.4 -42.9 105 108 A F H X S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 3,-0.4 0.941 112.1 47.7 -60.0 -49.9 -36.7 5.8 -39.9 106 109 A Y H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.803 104.3 60.4 -68.4 -29.1 -34.2 7.2 -37.4 107 110 A R H X S+ 0 0 99 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.876 108.0 46.7 -59.3 -37.8 -34.5 10.7 -39.0 108 111 A Q H X S+ 0 0 123 -4,-1.3 4,-1.4 -3,-0.4 -2,-0.2 0.906 112.1 48.6 -69.9 -45.6 -38.2 10.5 -38.0 109 112 A V H ><>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 3,-0.5 0.958 115.4 45.4 -57.2 -49.7 -37.4 9.3 -34.5 110 113 A H H ><5S+ 0 0 61 -4,-2.9 3,-2.3 1,-0.2 -2,-0.2 0.910 107.2 57.5 -63.2 -43.5 -34.9 12.1 -34.1 111 114 A A H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 103.2 55.2 -59.8 -27.3 -37.2 14.8 -35.6 112 115 A A T <<5S- 0 0 42 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.493 116.5-116.2 -84.9 0.6 -39.7 13.9 -32.8 113 116 A G T < 5 + 0 0 59 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.695 65.7 148.6 74.7 18.3 -37.0 14.5 -30.2 114 117 A T < - 0 0 2 -5,-1.8 -1,-0.3 -6,-0.2 -80,-0.2 -0.699 46.3-132.2 -88.4 134.5 -37.2 10.9 -29.1 115 118 A L E -c 34 0A 30 -82,-2.5 -80,-2.4 -2,-0.4 2,-0.4 -0.771 24.8-134.9 -84.6 126.4 -34.0 9.2 -27.8 116 119 A P E -c 35 0A 1 0, 0.0 161,-2.0 0, 0.0 2,-0.5 -0.670 21.5-174.6 -88.2 133.3 -33.4 5.8 -29.5 117 120 A L E -cd 36 277A 0 -82,-3.1 -80,-2.3 -2,-0.4 2,-0.3 -0.960 27.5-171.1-121.1 107.3 -32.4 2.7 -27.6 118 121 A S E -cd 37 278A 1 159,-2.3 161,-2.2 -2,-0.5 2,-0.5 -0.747 24.3-155.5-116.1 148.0 -31.7 0.2 -30.3 119 122 A V E -cd 38 279A 1 -82,-2.7 -80,-3.3 -2,-0.3 161,-0.2 -0.987 36.3-133.7-119.5 124.5 -31.1 -3.5 -30.6 120 123 A G E -c 39 0A 0 159,-2.2 162,-0.2 -2,-0.5 2,-0.2 -0.267 40.0-153.5 -86.8-175.4 -29.2 -4.9 -33.7 121 124 A G S S- 0 0 0 -82,-0.6 160,-3.2 -80,-0.6 161,-0.4 0.614 83.1 -33.9 81.8 152.9 -28.4 -6.4 -35.9 122 125 A D S > S- 0 0 0 -81,-2.2 3,-1.8 158,-0.2 4,-0.2 -0.289 74.5 -88.8 -82.7 177.8 -24.7 -6.3 -36.6 123 126 A H G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.664 116.1 77.8 -72.0 -12.7 -22.7 -3.1 -35.9 124 127 A L G > S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.819 80.1 73.9 -63.1 -24.5 -23.3 -1.6 -39.4 125 128 A V G <> S+ 0 0 2 -3,-1.8 4,-1.3 -84,-0.3 -1,-0.3 0.793 84.5 65.3 -56.9 -27.7 -26.7 -0.7 -38.0 126 129 A T H <> S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.2 -1,-0.3 0.841 90.8 65.7 -68.5 -30.8 -25.1 2.1 -36.0 127 130 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.5 -1,-0.2 0.957 102.3 42.5 -55.5 -59.9 -24.0 4.0 -39.1 128 131 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.882 113.6 55.2 -59.9 -33.7 -27.5 4.9 -40.4 129 132 A I H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 3,-0.4 0.952 109.3 45.9 -55.9 -50.5 -28.5 5.8 -36.8 130 133 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.854 105.1 61.9 -64.2 -34.0 -25.5 8.2 -36.6 131 134 A R H < S+ 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.881 113.7 36.1 -58.1 -36.6 -26.5 9.6 -40.0 132 135 A A H >< S+ 0 0 0 -4,-1.6 3,-0.7 -3,-0.4 4,-0.3 0.930 124.3 38.8 -77.8 -49.3 -29.8 10.6 -38.4 133 136 A L H 3< S+ 0 0 12 -4,-3.0 4,-0.3 1,-0.2 -3,-0.2 0.666 120.4 43.3 -80.1 -22.1 -28.6 11.6 -34.9 134 137 A G T 3< S+ 0 0 3 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.1 0.196 82.0 106.3-107.1 14.1 -25.3 13.3 -35.9 135 138 A R S < S+ 0 0 145 -3,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.868 91.5 25.3 -68.0 -41.1 -26.7 15.2 -38.9 136 139 A E S S+ 0 0 168 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.840 136.8 12.4 -87.8 -44.0 -26.7 18.7 -37.3 137 140 A R S S- 0 0 140 -4,-0.3 -1,-0.3 37,-0.1 36,-0.0 -0.995 84.5-104.4-133.5 148.2 -23.9 18.2 -34.7 138 141 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 37,-0.3 -0.299 33.8-130.2 -69.6 155.4 -21.3 15.5 -34.3 139 142 A L E -e 175 0A 3 35,-2.8 37,-3.3 91,-0.1 2,-0.2 -0.700 4.4-141.6-100.4 150.3 -21.7 12.8 -31.5 140 143 A G E - f 0 232A 0 91,-2.4 93,-2.4 -2,-0.3 2,-0.3 -0.627 28.0-156.2 -90.5 167.9 -19.2 11.7 -28.9 141 144 A M E -ef 180 233A 0 38,-2.6 40,-2.2 35,-0.3 2,-0.5 -0.986 30.0-157.6-152.4 140.7 -19.2 7.9 -28.1 142 145 A V E -ef 181 234A 0 91,-2.1 93,-2.0 -2,-0.3 2,-0.5 -0.991 31.9-170.9-105.0 118.0 -18.3 5.3 -25.5 143 146 A H E -ef 182 235A 0 38,-2.9 40,-2.7 -2,-0.5 2,-0.6 -0.952 13.6-161.7-122.3 115.0 -18.0 2.1 -27.6 144 147 A F E +ef 183 236A 2 91,-2.3 93,-2.7 -2,-0.5 2,-0.3 -0.881 36.8 131.1 -98.0 120.2 -17.6 -1.3 -26.0 145 148 A D - 0 0 0 38,-2.3 95,-0.1 -2,-0.6 93,-0.1 -0.985 64.5-133.3-165.4 149.0 -16.2 -3.9 -28.4 146 149 A A S S+ 0 0 1 -2,-0.3 40,-2.5 39,-0.2 2,-0.3 0.644 102.2 47.9 -73.7 -16.5 -13.6 -6.6 -29.1 147 150 A H S S- 0 0 40 38,-0.2 36,-0.1 36,-0.1 -1,-0.1 -0.958 74.4-137.8-130.6 143.4 -13.0 -4.7 -32.4 148 151 A S - 0 0 28 -2,-0.3 18,-0.1 1,-0.1 -1,-0.1 0.809 28.6-151.6 -68.3 -28.7 -12.5 -1.0 -33.4 149 152 A D + 0 0 11 1,-0.1 17,-1.7 16,-0.1 18,-0.8 0.877 59.5 120.0 58.2 36.3 -14.8 -1.3 -36.4 150 153 A T + 0 0 5 16,-0.2 14,-0.2 15,-0.1 -1,-0.1 -0.090 33.5 140.4-119.6 33.4 -12.8 1.4 -38.2 151 154 A N - 0 0 58 12,-2.8 16,-0.2 1,-0.1 17,-0.2 -0.255 44.1-144.6 -68.7 164.9 -11.8 -0.7 -41.2 152 155 A D - 0 0 63 1,-0.3 2,-0.3 15,-0.1 -1,-0.1 0.893 64.6 -3.0 -98.1 -67.9 -11.7 0.9 -44.7 153 156 A R - 0 0 110 7,-0.0 2,-0.4 4,-0.0 -1,-0.3 -0.929 52.9-155.2-131.8 153.2 -12.8 -1.6 -47.4 154 157 A Y B > S-I 158 0B 35 4,-1.6 4,-1.0 -2,-0.3 6,-0.1 -0.981 73.7 -8.8-126.3 143.9 -13.7 -5.3 -47.7 155 158 A F T 4 S- 0 0 90 -2,-0.4 2,-0.6 1,-0.1 -1,-0.2 0.874 130.6 -40.2 41.4 55.8 -13.4 -7.7 -50.7 156 159 A G T 4 S- 0 0 54 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.863 124.0 -10.9 103.8-122.8 -12.6 -4.8 -53.1 157 160 A D T 4 S+ 0 0 140 -2,-0.6 -2,-0.1 -4,-0.1 -1,-0.1 -0.414 83.6 131.3-119.9 55.1 -14.4 -1.5 -52.8 158 161 A N B < -I 154 0B 24 -4,-1.0 -4,-1.6 -2,-0.1 -2,-0.1 -0.935 28.6-179.4-104.9 107.2 -17.2 -2.2 -50.4 159 162 A P + 0 0 31 0, 0.0 2,-0.6 0, 0.0 9,-0.2 0.459 60.0 75.2 -90.5 0.4 -17.1 0.6 -47.8 160 163 A Y + 0 0 51 -6,-0.1 2,-0.3 3,-0.0 -36,-0.1 -0.903 54.4 121.2-123.3 102.2 -20.0 -0.7 -45.7 161 164 A T S > S- 0 0 0 -2,-0.6 3,-2.1 -10,-0.1 -116,-0.2 -0.917 76.1 -94.9-142.6 170.4 -19.6 -3.7 -43.4 162 165 A H T 3 S+ 0 0 14 -118,-2.4 -117,-0.1 -2,-0.3 -39,-0.1 0.627 126.3 57.9 -62.6 -9.8 -20.1 -4.3 -39.7 163 166 A G T 3 S+ 0 0 3 -119,-0.4 -12,-2.8 1,-0.1 -1,-0.3 0.417 106.1 46.0 -99.9 0.6 -16.3 -3.6 -39.5 164 167 A T S X> S+ 0 0 0 -3,-2.1 4,-2.3 -14,-0.2 3,-0.8 0.463 73.7 105.0-115.1 -2.1 -16.4 -0.1 -41.1 165 168 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -15,-0.1 0.829 83.0 44.6 -62.9 -36.3 -19.1 1.9 -39.5 166 169 A F H 3> S+ 0 0 0 -17,-1.7 4,-1.7 2,-0.2 -16,-0.2 0.765 111.2 53.9 -81.3 -20.6 -17.2 4.2 -37.2 167 170 A R H <> S+ 0 0 52 -18,-0.8 4,-2.7 -3,-0.8 5,-0.2 0.952 112.4 45.0 -68.8 -51.0 -14.6 5.0 -39.9 168 171 A R H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.904 111.3 53.9 -52.6 -46.1 -17.5 6.0 -42.2 169 172 A A H <>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.3 6,-1.2 0.869 111.2 44.5 -60.8 -41.1 -19.1 8.0 -39.3 170 173 A I H ><5S+ 0 0 25 -4,-1.7 3,-1.6 4,-0.2 -2,-0.2 0.940 113.5 49.9 -68.4 -47.0 -15.9 10.0 -38.7 171 174 A E H 3<5S+ 0 0 107 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.882 110.7 51.0 -58.5 -39.6 -15.4 10.6 -42.5 172 175 A E T 3<5S- 0 0 73 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.478 115.6-117.3 -79.1 -2.3 -19.0 11.8 -42.8 173 176 A G T < 5S+ 0 0 44 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.692 84.6 113.9 77.7 19.1 -18.5 14.2 -39.8 174 177 A L < + 0 0 14 -5,-2.8 -35,-2.8 -6,-0.2 2,-0.5 0.725 69.8 48.6 -94.0 -27.6 -21.1 12.4 -37.6 175 178 A L E S-e 139 0A 3 -6,-1.2 -2,-0.2 -37,-0.3 -1,-0.2 -0.980 76.5-138.8-120.1 126.6 -18.8 11.1 -34.9 176 179 A D E > - 0 0 51 -37,-3.3 3,-1.5 -2,-0.5 -35,-0.3 -0.732 12.1-156.9 -84.0 108.5 -16.2 13.4 -33.2 177 180 A P E > S+ 0 0 26 0, 0.0 3,-1.4 0, 0.0 27,-0.4 0.804 88.8 59.0 -63.1 -28.0 -13.1 11.2 -32.9 178 181 A L E 3 S+ 0 0 121 1,-0.3 -38,-0.1 25,-0.1 24,-0.1 0.694 107.9 47.4 -72.5 -19.2 -11.6 13.2 -30.0 179 182 A R E < S+ 0 0 42 -3,-1.5 -38,-2.6 -40,-0.2 2,-0.5 -0.051 95.0 101.7-106.7 31.9 -14.7 12.4 -28.0 180 183 A T E < +e 141 0A 1 -3,-1.4 24,-2.5 -40,-0.2 2,-0.4 -0.956 44.3 178.1-116.7 129.6 -14.6 8.7 -28.9 181 184 A V E -eg 142 204A 0 -40,-2.2 -38,-2.9 -2,-0.5 2,-0.4 -0.999 10.5-160.3-132.2 131.0 -13.3 6.0 -26.6 182 185 A Q E -eg 143 205A 0 22,-2.7 24,-3.8 -2,-0.4 2,-0.4 -0.946 9.4-165.7-115.7 130.1 -13.3 2.3 -27.4 183 186 A I E +eg 144 206A 2 -40,-2.7 -38,-2.3 -2,-0.4 24,-0.2 -0.971 61.0 23.3-125.8 126.7 -13.0 -0.3 -24.6 184 187 A G E + 0 0 0 22,-2.6 23,-0.2 -2,-0.4 24,-0.2 0.389 67.6 166.8 110.5 -0.0 -12.2 -4.0 -24.8 185 188 A I E + g 0 207A 15 21,-0.6 23,-3.1 -3,-0.1 24,-0.4 -0.192 18.1 135.0 -54.3 128.3 -10.3 -4.2 -28.1 186 189 A R + 0 0 17 -40,-2.5 2,-0.0 21,-0.2 69,-0.0 -0.992 12.2 72.1-166.0 165.6 -8.5 -7.6 -28.5 187 190 A G S S- 0 0 39 -2,-0.3 66,-0.1 68,-0.1 68,-0.0 -0.048 79.3 -41.4 103.2 157.1 -7.6 -10.6 -30.7 188 191 A S - 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