==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-12 4HOY . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR S.YAMINI,S.KAUSHIK,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 2 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 142 0, 0.0 179,-0.2 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 114.2 -19.3 24.5 -34.6 2 2 A S - 0 0 57 1,-0.1 178,-0.2 177,-0.1 2,-0.1 0.178 360.0-121.9 -33.7 138.9 -17.3 25.7 -31.6 3 3 A N - 0 0 70 174,-0.1 2,-0.6 176,-0.1 173,-0.2 -0.522 35.5-107.4 -69.4 154.2 -13.8 24.4 -30.8 4 4 A I + 0 0 1 171,-1.6 86,-0.2 -2,-0.1 85,-0.1 -0.861 47.2 166.3 -86.2 125.0 -13.7 22.8 -27.3 5 5 A S + 0 0 38 84,-2.4 56,-3.1 -2,-0.6 2,-0.4 0.418 60.8 49.0-117.4 -6.4 -11.7 25.2 -25.1 6 6 A L E -ab 61 90A 0 83,-1.9 85,-2.7 54,-0.2 2,-0.5 -0.989 60.1-171.8-137.9 125.3 -12.6 23.9 -21.6 7 7 A I E -ab 62 91A 0 54,-2.6 56,-2.3 -2,-0.4 2,-0.4 -0.982 9.0-168.3-119.1 124.7 -12.3 20.3 -20.6 8 8 A V E -ab 63 92A 0 83,-3.1 85,-3.2 -2,-0.5 2,-0.5 -0.847 8.7-158.4-112.3 138.4 -13.7 19.3 -17.2 9 9 A G E - b 0 93A 0 54,-2.3 2,-0.3 -2,-0.4 85,-0.2 -0.987 14.3-145.8-116.3 129.3 -13.2 16.0 -15.4 10 10 A L + 0 0 0 83,-2.2 16,-1.4 -2,-0.5 15,-0.5 -0.643 42.4 104.7 -94.3 151.4 -15.7 15.1 -12.6 11 11 A G - 0 0 0 -2,-0.3 57,-0.3 14,-0.2 12,-0.2 -0.964 62.2 -77.3 166.9-175.1 -14.8 13.2 -9.5 12 12 A N - 0 0 13 -2,-0.3 8,-0.1 5,-0.2 5,-0.1 -0.848 42.5-113.3-111.9 148.2 -14.1 13.5 -5.7 13 13 A P + 0 0 20 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.381 68.6 54.5 -75.4 158.7 -11.0 14.9 -4.0 14 14 A G S >> S- 0 0 42 1,-0.1 3,-1.5 2,-0.1 4,-1.1 0.161 85.8 -90.0 99.0 149.4 -8.6 12.9 -1.9 15 15 A S T 34 S+ 0 0 106 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.773 119.4 65.2 -67.4 -25.2 -6.5 9.7 -2.3 16 16 A E T 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.705 112.9 33.5 -69.7 -17.1 -9.4 7.5 -0.9 17 17 A Y T X4 S+ 0 0 64 -3,-1.5 3,-1.9 2,-0.1 6,-0.2 0.585 92.8 93.3-108.4 -10.0 -11.5 8.5 -4.0 18 18 A A T 3< S+ 0 0 43 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.770 93.8 37.3 -57.6 -35.6 -8.7 8.7 -6.6 19 19 A Q T 3 S+ 0 0 107 -4,-0.5 134,-0.5 3,-0.0 -1,-0.3 0.413 94.2 113.3 -97.8 6.8 -9.0 5.1 -7.8 20 20 A T B X S-G 152 0B 9 -3,-1.9 3,-2.0 132,-0.2 132,-0.3 -0.392 76.5-118.2 -83.8 157.2 -12.9 4.9 -7.6 21 21 A R G > S+ 0 0 24 130,-2.3 3,-1.8 127,-0.5 129,-0.2 0.789 110.9 67.5 -61.5 -34.9 -15.1 4.5 -10.6 22 22 A H G 3 S+ 0 0 17 127,-2.3 3,-0.4 1,-0.3 73,-0.3 0.621 94.0 61.0 -64.0 -11.7 -16.8 7.9 -9.9 23 23 A N G <> + 0 0 3 -3,-2.0 4,-2.2 -6,-0.2 3,-0.4 0.214 63.8 116.6 -99.9 15.8 -13.4 9.6 -10.7 24 24 A A H <> S+ 0 0 0 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.873 76.1 54.2 -49.4 -39.5 -13.4 8.3 -14.3 25 25 A G H > S+ 0 0 0 -15,-0.5 4,-2.3 -3,-0.4 -1,-0.2 0.899 106.1 51.1 -62.1 -47.0 -13.6 12.0 -15.4 26 26 A F H > S+ 0 0 9 -16,-1.4 4,-3.0 -3,-0.4 5,-0.3 0.910 108.0 54.1 -56.6 -44.4 -10.5 12.9 -13.3 27 27 A W H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.949 109.4 46.7 -56.2 -52.7 -8.5 10.0 -14.9 28 28 A F H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.940 117.2 41.6 -54.0 -51.2 -9.2 11.2 -18.4 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.889 114.2 51.0 -72.2 -39.2 -8.3 14.9 -17.7 30 30 A E H X S+ 0 0 101 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.932 112.9 46.9 -61.7 -39.6 -5.2 14.2 -15.5 31 31 A Q H X S+ 0 0 73 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.870 112.9 49.9 -70.5 -36.6 -3.9 11.9 -18.3 32 32 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 6,-0.2 0.897 107.9 53.6 -64.6 -46.2 -4.7 14.5 -20.9 33 33 A A H <>S+ 0 0 3 -4,-2.9 5,-3.6 1,-0.2 4,-0.4 0.934 113.1 41.1 -55.1 -46.8 -2.9 17.2 -18.9 34 34 A D H ><5S+ 0 0 139 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.877 107.3 62.8 -77.5 -30.2 0.3 15.2 -18.6 35 35 A K H 3<5S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.7 31.0 -52.1 -43.6 0.1 14.0 -22.3 36 36 A Y T 3<5S- 0 0 51 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.319 114.3-112.6-102.0 7.2 0.4 17.7 -23.3 37 37 A G T < 5 + 0 0 60 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.870 61.3 156.0 63.7 36.3 2.5 18.9 -20.4 38 38 A I < - 0 0 10 -5,-3.6 2,-0.5 -6,-0.2 -1,-0.2 -0.855 37.4-136.9 -95.4 132.5 -0.2 21.1 -19.0 39 39 A T - 0 0 91 -2,-0.5 2,-0.6 13,-0.3 13,-0.4 -0.737 7.3-148.0 -95.7 127.5 0.3 21.6 -15.2 40 40 A L - 0 0 43 -2,-0.5 2,-0.3 11,-0.1 11,-0.2 -0.861 24.5-176.6 -92.1 124.2 -2.8 21.4 -13.0 41 41 A K E -C 50 0A 143 9,-3.2 9,-2.7 -2,-0.6 7,-0.1 -0.888 36.0 -87.3-123.5 154.1 -2.5 23.8 -10.1 42 42 A N E -C 49 0A 140 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.305 40.0-176.5 -54.6 134.5 -4.7 24.5 -7.0 43 43 A D E > > +C 48 0A 28 5,-3.0 5,-1.7 1,-0.1 3,-1.4 -0.640 10.0 169.7-138.2 72.4 -7.2 27.2 -8.0 44 44 A P G > 5S+ 0 0 106 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.796 71.7 70.8 -57.7 -30.5 -9.1 27.9 -4.8 45 45 A K G 3 5S+ 0 0 133 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.878 112.3 31.4 -55.6 -34.9 -10.9 31.0 -6.3 46 46 A F G < 5S- 0 0 8 -3,-1.4 -1,-0.3 2,-0.2 33,-0.2 0.115 112.3-116.1-113.9 24.0 -12.9 28.4 -8.4 47 47 A H T < 5S+ 0 0 99 -3,-1.6 19,-2.8 1,-0.2 2,-0.3 0.861 83.6 72.5 50.1 43.7 -12.9 25.6 -5.9 48 48 A G E S- D 0 58A 0 3,-2.9 3,-1.3 -2,-0.5 -2,-0.0 -0.973 76.5 -29.9-123.4 107.5 -3.2 21.1 -27.1 56 56 A E T 3 S- 0 0 68 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.816 128.5 -42.5 57.0 40.0 -2.7 20.4 -30.8 57 57 A G T 3 S+ 0 0 54 1,-0.3 2,-0.3 120,-0.0 -1,-0.3 0.566 119.0 100.5 90.2 8.0 -2.5 24.1 -31.6 58 58 A H E < S- D 0 55A 53 -3,-1.3 -3,-2.9 -5,-0.0 2,-0.7 -0.957 73.0-120.5-129.8 147.2 -5.3 25.4 -29.5 59 59 A D E + D 0 54A 81 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.782 42.3 177.1 -87.8 114.0 -5.3 27.1 -26.1 60 60 A V E - D 0 53A 0 -7,-2.8 -7,-2.2 -2,-0.7 2,-0.4 -0.955 22.2-143.9-124.3 140.6 -7.4 24.9 -23.8 61 61 A R E -aD 6 52A 49 -56,-3.1 -54,-2.6 -2,-0.4 2,-0.4 -0.820 12.5-155.2-102.3 146.3 -8.2 25.1 -20.1 62 62 A L E -aD 7 51A 0 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.4 -0.964 11.6-173.0-119.9 141.2 -8.5 22.1 -17.9 63 63 A L E -aD 8 50A 0 -56,-2.3 -54,-2.3 -2,-0.4 -13,-0.2 -0.993 18.5-177.9-141.4 129.8 -10.6 21.9 -14.7 64 64 A L E - D 0 49A 1 -15,-3.1 -15,-2.9 -2,-0.4 -54,-0.1 -0.961 29.8-136.3-120.6 112.4 -11.1 19.4 -12.0 65 65 A P E - D 0 48A 0 0, 0.0 -17,-0.3 0, 0.0 3,-0.2 -0.429 12.3-165.1 -60.8 141.3 -13.7 20.6 -9.4 66 66 A M + 0 0 53 -19,-2.8 -18,-0.2 -20,-0.2 -19,-0.1 -0.111 65.9 99.7-116.0 29.9 -12.5 20.0 -5.8 67 67 A T S S- 0 0 16 1,-0.2 -1,-0.1 -20,-0.2 -55,-0.1 0.492 99.5 -98.6 -88.9 -8.1 -16.1 20.6 -4.4 68 68 A Y > - 0 0 112 -57,-0.3 3,-1.9 -3,-0.2 -1,-0.2 0.139 47.9 -79.1 76.6 148.3 -16.9 16.9 -4.1 69 69 A M G > S+ 0 0 1 1,-0.3 3,-2.0 2,-0.2 51,-0.2 0.845 126.3 53.5 -48.2 -49.5 -19.0 15.4 -7.0 70 70 A N G 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.555 112.7 45.0 -72.7 -5.1 -22.5 16.6 -6.0 71 71 A R G X S+ 0 0 149 -3,-1.9 3,-2.2 1,-0.1 4,-0.3 0.070 72.2 124.4-119.9 20.8 -21.4 20.2 -5.8 72 72 A S T X> + 0 0 0 -3,-2.0 4,-2.5 1,-0.3 3,-1.5 0.744 65.1 67.1 -53.9 -32.9 -19.3 20.3 -9.1 73 73 A G H 3> S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.779 85.5 71.3 -58.8 -27.8 -21.4 23.3 -10.4 74 74 A Q H <4 S+ 0 0 105 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.705 114.3 25.8 -68.8 -10.2 -19.8 25.4 -7.6 75 75 A S H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 5,-0.2 0.777 123.2 48.2-107.8 -51.7 -16.6 25.2 -9.6 76 76 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.905 111.4 51.0 -60.2 -43.2 -17.6 24.6 -13.2 77 77 A V H X S+ 0 0 16 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.982 115.0 37.6 -65.8 -55.0 -20.2 27.5 -13.3 78 78 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.855 116.9 53.7 -67.8 -30.3 -18.1 30.4 -11.9 79 79 A F H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.961 111.6 43.0 -64.4 -50.6 -15.0 29.2 -13.8 80 80 A S H <>S+ 0 0 2 -4,-2.4 5,-3.1 -5,-0.2 4,-0.3 0.875 116.6 49.9 -68.0 -31.0 -16.8 29.1 -17.2 81 81 A K H ><5S+ 0 0 124 -4,-2.2 3,-0.7 -5,-0.3 -1,-0.2 0.900 108.2 50.5 -71.4 -41.9 -18.5 32.4 -16.5 82 82 A F H 3<5S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.916 117.3 39.8 -63.1 -44.0 -15.4 34.2 -15.5 83 83 A Y T 3<5S- 0 0 75 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.407 109.7-126.2 -88.8 3.6 -13.5 33.1 -18.6 84 84 A Q T < 5 + 0 0 182 -3,-0.7 2,-0.6 -4,-0.3 -3,-0.2 0.921 49.5 163.2 56.8 44.9 -16.7 33.7 -20.7 85 85 A I < - 0 0 21 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.895 32.7-134.5 -97.0 123.5 -16.5 30.2 -22.1 86 86 A A > - 0 0 46 -2,-0.6 3,-2.4 1,-0.1 4,-0.1 -0.412 20.3-114.2 -74.8 153.5 -19.9 29.1 -23.7 87 87 A P G > S+ 0 0 31 0, 0.0 3,-2.2 0, 0.0 43,-0.5 0.868 115.6 65.2 -53.8 -35.4 -21.4 25.7 -22.9 88 88 A E G 3 S+ 0 0 84 1,-0.3 41,-0.1 41,-0.2 -2,-0.0 0.700 100.3 50.6 -63.0 -13.3 -20.9 24.8 -26.5 89 89 A A G < S+ 0 0 7 -3,-2.4 -84,-2.4 -85,-0.1 -83,-1.9 0.255 96.5 96.0-106.4 10.1 -17.1 25.1 -26.0 90 90 A I E < -b 6 0A 0 -3,-2.2 40,-2.9 38,-0.2 2,-0.5 -0.890 49.9-170.6-107.5 132.7 -17.2 22.8 -22.9 91 91 A L E -be 7 130A 0 -85,-2.7 -83,-3.1 -2,-0.4 2,-0.6 -0.984 7.6-165.5-115.0 130.1 -16.5 19.1 -22.7 92 92 A I E -be 8 131A 0 38,-2.6 40,-2.3 -2,-0.5 2,-0.4 -0.953 5.3-156.0-117.7 117.1 -17.3 17.3 -19.4 93 93 A A E +be 9 132A 0 -85,-3.2 -83,-2.2 -2,-0.6 2,-0.3 -0.782 26.6 155.7 -94.0 137.4 -15.8 13.9 -18.9 94 94 A H E - e 0 133A 2 38,-2.5 40,-2.9 -2,-0.4 2,-0.1 -0.983 45.9 -90.7-158.3 155.5 -17.7 11.7 -16.4 95 95 A D E - e 0 134A 2 -73,-0.3 2,-0.5 -2,-0.3 40,-0.2 -0.430 36.7-153.0 -67.8 146.3 -18.4 8.1 -15.3 96 96 A E E > - e 0 135A 15 38,-2.8 40,-2.4 3,-0.1 3,-1.2 -0.951 13.8-169.6-130.5 110.1 -21.4 6.6 -17.0 97 97 A L T 3 S+ 0 0 41 -2,-0.5 -1,-0.1 1,-0.2 38,-0.0 0.821 85.0 65.3 -63.7 -35.1 -23.3 3.8 -15.1 98 98 A D T 3 S+ 0 0 114 38,-0.1 2,-0.4 39,-0.1 -1,-0.2 0.320 98.2 63.4 -78.3 11.4 -25.5 3.0 -18.2 99 99 A M S < S- 0 0 27 -3,-1.2 38,-2.9 35,-0.1 37,-0.8 -0.983 83.3-118.9-136.1 145.1 -22.4 1.8 -20.2 100 100 A N > - 0 0 108 -2,-0.4 3,-2.0 36,-0.2 35,-0.2 -0.411 43.7 -81.9 -73.4 159.9 -20.1 -1.1 -19.6 101 101 A P T 3 S+ 0 0 20 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.343 121.4 34.3 -60.3 136.1 -16.3 -0.8 -19.0 102 102 A G T 3 S+ 0 0 1 33,-0.5 2,-0.4 1,-0.4 59,-0.1 0.290 95.9 106.1 94.2 -9.4 -14.6 -0.4 -22.4 103 103 A V < + 0 0 44 -3,-2.0 32,-2.3 32,-0.1 -1,-0.4 -0.868 43.8 173.2-102.7 140.4 -17.6 1.6 -23.8 104 104 A I E -F 134 0A 0 -2,-0.4 2,-0.4 86,-0.3 86,-0.3 -0.982 4.8-177.1-149.2 135.7 -17.1 5.3 -24.3 105 105 A R E -F 133 0A 94 28,-1.9 28,-3.0 -2,-0.3 2,-0.4 -0.990 22.1-141.9-136.3 143.4 -19.4 7.9 -26.0 106 106 A L E -F 132 0A 4 -2,-0.4 2,-0.4 78,-0.3 26,-0.2 -0.872 29.4-179.5 -99.5 132.3 -19.3 11.5 -26.9 107 107 A K E -F 131 0A 76 24,-2.3 24,-3.1 -2,-0.4 2,-0.5 -0.991 18.9-151.6-132.6 141.8 -22.8 13.2 -26.4 108 108 A T E -F 130 0A 59 -2,-0.4 22,-0.2 22,-0.2 20,-0.1 -0.969 62.0 -20.8-117.4 126.0 -24.0 16.8 -27.0 109 109 A G S S+ 0 0 7 20,-2.0 19,-0.1 -2,-0.5 2,-0.1 -0.136 74.1 113.6 79.5-168.0 -26.9 18.1 -24.9 110 110 A G - 0 0 38 12,-0.0 19,-0.2 -3,-0.0 -1,-0.1 -0.346 67.0 -67.0 88.4-177.4 -29.5 16.2 -23.0 111 111 A G - 0 0 44 -2,-0.1 8,-0.0 1,-0.0 7,-0.0 0.024 55.8 -82.0 -96.8-159.1 -30.0 16.1 -19.2 112 112 A H > - 0 0 64 7,-0.1 3,-1.9 6,-0.1 6,-0.2 0.704 44.1-143.3 -83.6 -21.0 -28.0 14.6 -16.3 113 113 A G T 3 S- 0 0 66 1,-0.3 3,-0.1 5,-0.1 -1,-0.0 0.780 71.4 -55.2 64.2 21.7 -29.3 11.1 -16.7 114 114 A G T 3 S+ 0 0 39 1,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.337 99.6 142.6 92.7 -8.0 -29.2 10.6 -12.9 115 115 A H <> - 0 0 19 -3,-1.9 4,-2.2 1,-0.2 -1,-0.3 -0.555 43.9-151.6 -70.3 120.3 -25.5 11.6 -12.7 116 116 A N H > S+ 0 0 70 -2,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.727 92.7 52.5 -74.3 -16.7 -25.2 13.7 -9.5 117 117 A G H >4 S+ 0 0 0 2,-0.2 3,-1.1 1,-0.1 4,-0.3 0.938 112.6 44.0 -74.5 -51.6 -22.2 15.7 -10.8 118 118 A L H >> S+ 0 0 2 1,-0.3 4,-2.3 -6,-0.2 3,-1.8 0.860 104.2 66.8 -63.6 -31.9 -24.1 16.7 -14.0 119 119 A R H 3< S+ 0 0 112 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.807 101.3 49.4 -56.2 -31.1 -27.2 17.4 -11.9 120 120 A D T << S+ 0 0 38 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.482 116.6 40.2 -87.5 0.4 -25.3 20.3 -10.3 121 121 A I T X> S+ 0 0 0 -3,-1.8 4,-1.8 -4,-0.3 3,-1.6 0.805 99.1 64.7-115.7 -50.1 -24.2 21.8 -13.6 122 122 A V H 3X S+ 0 0 26 -4,-2.3 4,-1.9 1,-0.3 -3,-0.1 0.844 97.7 60.1 -47.1 -42.9 -27.1 21.6 -16.2 123 123 A P H 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.802 113.3 34.6 -57.5 -28.6 -29.3 24.0 -14.1 124 124 A H H <4 S+ 0 0 104 -3,-1.6 -2,-0.2 2,-0.1 -3,-0.1 0.761 131.4 24.0-107.5 -27.9 -26.9 26.8 -14.3 125 125 A I H < S- 0 0 26 -4,-1.8 3,-0.3 1,-0.3 -3,-0.2 0.439 105.6-122.7-111.5 -4.6 -25.2 26.6 -17.7 126 126 A G < - 0 0 22 -4,-1.9 -1,-0.3 -5,-0.4 3,-0.2 -0.156 33.5 -74.4 82.0-179.4 -28.0 24.7 -19.5 127 127 A P S S+ 0 0 46 0, 0.0 2,-1.0 0, 0.0 -18,-0.5 0.525 96.1 101.7 -91.7 -6.8 -27.6 21.4 -21.3 128 128 A N + 0 0 83 -3,-0.3 2,-0.2 -20,-0.1 -38,-0.2 -0.008 55.9 102.8 -86.3 38.9 -25.7 22.4 -24.5 129 129 A F S S- 0 0 0 -2,-1.0 -20,-2.0 -3,-0.2 2,-0.3 -0.666 74.3-105.8-106.5 163.5 -22.2 21.3 -23.5 130 130 A H E -eF 91 108A 4 -40,-2.9 -38,-2.6 -43,-0.5 2,-0.4 -0.650 29.2-154.6 -91.9 151.0 -20.5 18.1 -24.6 131 131 A R E -eF 92 107A 5 -24,-3.1 -24,-2.3 -2,-0.3 2,-0.8 -0.988 14.3-151.6-128.5 134.2 -20.0 15.0 -22.5 132 132 A L E -eF 93 106A 1 -40,-2.3 -38,-2.5 -2,-0.4 2,-0.8 -0.898 23.2-157.9-100.4 104.7 -17.4 12.2 -22.6 133 133 A R E -eF 94 105A 55 -28,-3.0 -28,-1.9 -2,-0.8 2,-0.8 -0.716 4.7-163.9 -88.6 109.5 -19.4 9.3 -21.1 134 134 A I E -eF 95 104A 0 -40,-2.9 -38,-2.8 -2,-0.8 -30,-0.2 -0.834 20.8-125.9 -99.1 113.0 -16.9 6.8 -19.8 135 135 A G E +e 96 0A 0 -32,-2.3 -33,-0.5 -2,-0.8 -35,-0.2 -0.292 36.0 166.6 -61.4 130.2 -18.6 3.4 -19.1 136 136 A I - 0 0 0 -40,-2.4 -36,-0.2 -37,-0.8 -39,-0.2 0.327 46.8-116.2-121.6 0.2 -18.2 2.1 -15.6 137 137 A G - 0 0 7 -38,-2.9 -1,-0.2 -41,-0.7 -38,-0.1 0.067 21.3 -98.3 81.0 162.8 -20.8 -0.7 -15.6 138 138 A H - 0 0 91 -40,-0.1 7,-0.1 1,-0.1 -1,-0.0 -0.981 21.9-140.4-118.2 133.0 -24.0 -1.1 -13.5 139 139 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.686 48.7-102.2 -71.9 -16.6 -23.8 -3.4 -10.4 140 140 A G S S+ 0 0 58 1,-0.1 2,-0.3 -3,-0.0 3,-0.1 0.148 90.1 49.5 123.1 -20.7 -27.2 -4.8 -10.9 141 141 A S S > S- 0 0 23 1,-0.1 3,-1.0 0, 0.0 4,-0.3 -0.996 75.2-119.1-147.6 150.8 -29.5 -3.0 -8.4 142 142 A K G > S+ 0 0 184 -2,-0.3 3,-1.6 1,-0.2 4,-0.5 0.880 109.0 62.1 -54.3 -36.4 -30.3 0.5 -7.2 143 143 A E G 3 S+ 0 0 168 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.786 106.8 43.7 -67.8 -26.7 -29.2 -0.3 -3.6 144 144 A R G <> S+ 0 0 141 -3,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.302 83.7 95.8-104.1 13.4 -25.6 -1.0 -4.7 145 145 A V H <> S+ 0 0 32 -3,-1.6 4,-2.6 -4,-0.3 5,-0.3 0.933 84.5 51.8 -65.7 -44.4 -25.1 1.9 -7.1 146 146 A S H > S+ 0 0 74 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.931 110.8 45.6 -63.9 -43.6 -23.5 4.0 -4.4 147 147 A G H 4 S+ 0 0 55 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 113.5 52.7 -66.9 -32.0 -20.9 1.3 -3.4 148 148 A H H >< S+ 0 0 22 -4,-1.6 3,-1.7 2,-0.2 -127,-0.5 0.960 113.8 39.5 -68.1 -55.7 -20.2 0.5 -7.1 149 149 A V H 3< S+ 0 0 11 -4,-2.6 -127,-2.3 1,-0.3 -126,-0.2 0.863 118.8 48.5 -67.8 -31.1 -19.4 4.2 -8.1 150 150 A L T 3< S+ 0 0 67 -4,-2.4 2,-0.3 -5,-0.3 -1,-0.3 0.232 104.5 83.0 -90.6 16.4 -17.6 4.8 -4.9 151 151 A G S < S- 0 0 17 -3,-1.7 -130,-2.3 -5,-0.1 2,-0.4 -0.833 82.9-105.0-116.6 162.2 -15.6 1.7 -5.2 152 152 A K B -G 20 0B 133 -2,-0.3 -132,-0.2 -132,-0.3 -2,-0.1 -0.681 36.7-125.5 -81.1 126.7 -12.4 0.6 -7.0 153 153 A A - 0 0 7 -134,-0.5 -1,-0.1 -2,-0.4 -5,-0.0 -0.309 27.4-104.2 -69.5 150.7 -12.9 -1.6 -10.1 154 154 A P > - 0 0 56 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.314 41.3 -97.1 -65.8 163.3 -11.2 -5.0 -10.5 155 155 A S H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 120.2 52.6 -47.2 -53.9 -8.2 -5.2 -12.8 156 156 A N H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 113.9 41.8 -58.0 -41.6 -10.0 -6.5 -15.8 157 157 A E H > S+ 0 0 53 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.873 111.8 56.3 -74.0 -35.1 -12.7 -3.8 -15.8 158 158 A Q H X S+ 0 0 38 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.931 105.9 51.2 -63.2 -44.6 -10.1 -1.1 -15.1 159 159 A S H X S+ 0 0 80 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.896 109.5 50.6 -58.7 -43.1 -8.1 -2.2 -18.2 160 160 A L H X S+ 0 0 66 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.941 112.7 44.8 -59.4 -48.4 -11.2 -1.9 -20.3 161 161 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.939 113.3 50.7 -62.0 -45.3 -11.9 1.6 -19.0 162 162 A D H X S+ 0 0 54 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.868 109.7 51.5 -60.8 -39.5 -8.2 2.6 -19.4 163 163 A G H X S+ 0 0 21 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.918 110.9 47.1 -61.7 -44.0 -8.4 1.4 -23.0 164 164 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.874 112.3 50.3 -65.5 -40.6 -11.5 3.4 -23.7 165 165 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.935 108.2 53.7 -65.2 -42.9 -9.9 6.5 -22.1 166 166 A D H X S+ 0 0 91 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.888 108.0 50.2 -55.0 -46.1 -6.7 6.1 -24.2 167 167 A H H X S+ 0 0 41 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.907 110.2 48.0 -60.2 -49.4 -8.9 6.0 -27.3 168 168 A A H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.893 106.1 59.7 -57.8 -41.8 -10.7 9.2 -26.4 169 169 A L H >< S+ 0 0 13 -4,-2.5 3,-1.1 1,-0.3 4,-0.4 0.870 100.9 54.8 -51.6 -41.2 -7.4 10.9 -25.6 170 170 A S H 3< S+ 0 0 68 -4,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.662 107.4 51.8 -69.8 -12.1 -6.3 10.2 -29.3 171 171 A K T S+ 0 0 0 -3,-1.1 4,-2.8 -4,-0.4 5,-0.4 0.877 75.7 66.5 -67.5 -31.8 -9.0 15.2 -28.5 173 173 A K H > S+ 0 0 87 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.950 103.0 46.5 -49.8 -49.9 -7.2 16.8 -31.4 174 174 A L H 4>S+ 0 0 34 -3,-0.4 5,-2.6 1,-0.2 -1,-0.2 0.919 112.4 51.6 -61.4 -37.1 -10.5 16.7 -33.4 175 175 A L H ><5S+ 0 0 2 -4,-1.5 -171,-1.6 1,-0.2 3,-1.3 0.936 112.1 42.7 -66.4 -47.8 -12.4 18.1 -30.4 176 176 A V H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 111.5 55.8 -73.6 -23.9 -10.1 21.2 -29.8 177 177 A Q T 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.360 122.4-105.8 -91.6 10.8 -9.9 21.9 -33.6 178 178 A G T < 5S+ 0 0 11 -3,-1.3 2,-1.7 -4,-0.1 -3,-0.2 0.426 79.8 131.8 87.8 5.6 -13.8 22.1 -33.7 179 179 A Q >< + 0 0 65 -5,-2.6 4,-2.4 -6,-0.2 5,-0.2 -0.404 18.4 149.2 -85.9 58.5 -14.4 18.7 -35.4 180 180 A V H > + 0 0 1 -2,-1.7 4,-3.6 2,-0.2 5,-0.2 0.952 67.7 49.4 -70.1 -47.7 -17.1 17.5 -33.1 181 181 A P H > S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.929 115.6 46.2 -56.7 -41.2 -19.2 15.3 -35.5 182 182 A Q H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 113.8 48.2 -63.4 -45.2 -15.9 13.6 -36.6 183 183 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.920 110.2 52.3 -61.3 -42.3 -14.8 13.2 -33.0 184 184 A M H X S+ 0 0 46 -4,-3.6 4,-2.8 2,-0.2 -78,-0.3 0.951 111.2 46.4 -58.4 -48.8 -18.2 11.8 -32.1 185 185 A N H X S+ 0 0 120 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.956 117.7 43.3 -57.4 -47.2 -18.1 9.2 -35.0 186 186 A Q H < S+ 0 0 80 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.860 117.0 43.0 -73.9 -40.2 -14.6 8.2 -34.1 187 187 A I H >< S+ 0 0 0 -4,-3.3 3,-1.8 -5,-0.2 -83,-0.2 0.963 114.6 51.1 -64.7 -49.2 -14.9 8.1 -30.3 188 188 A N H 3< S+ 0 0 40 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.744 101.1 63.2 -68.0 -20.3 -18.3 6.3 -30.4 189 189 A A T 3< S+ 0 0 77 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.559 77.3 122.8 -76.8 -8.3 -17.0 3.6 -32.8 190 190 A Y < + 0 0 44 -3,-1.8 -86,-0.3 -86,-0.3 -26,-0.0 -0.300 30.8 169.0 -63.6 138.3 -14.5 2.3 -30.2 191 191 A K - 0 0 169 -88,-0.1 -88,-0.1 -2,-0.0 -89,-0.1 -0.986 44.9 -89.1-141.3 138.3 -14.6 -1.4 -29.1 192 192 A P 0 0 60 0, 0.0 -32,-0.1 0, 0.0 -89,-0.0 -0.084 360.0 360.0 -50.0 146.6 -11.9 -3.1 -27.0 193 193 A A 0 0 167 -3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.995 360.0 360.0 -71.5 360.0 -9.1 -4.6 -28.9