==== 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 TRANSFERASE 06-DEC-07 2ZE5 . COMPND 2 MOLECULE: ISOPENTENYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR H.SAKAKIBARA . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 1 0 0 0 2 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 32 0, 0.0 116,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 140.0 52.4 77.9 21.8 2 2 A L E -ab 92 117A 29 89,-2.5 91,-2.3 114,-0.2 2,-0.6 -0.869 360.0-158.1-100.8 126.9 54.9 77.5 18.9 3 3 A L E -ab 93 118A 0 114,-2.1 116,-2.5 -2,-0.5 2,-0.9 -0.928 2.0-158.0-110.1 121.8 55.9 73.9 18.1 4 4 A H E -ab 94 119A 27 89,-3.3 91,-2.1 -2,-0.6 2,-0.5 -0.845 13.8-164.9-100.9 100.0 59.2 73.5 16.2 5 5 A L E +ab 95 120A 0 114,-2.4 116,-2.8 -2,-0.9 2,-0.5 -0.748 10.7 179.1 -92.6 122.5 59.0 70.1 14.5 6 6 A I E +ab 96 121A 0 89,-3.2 91,-1.9 -2,-0.5 2,-0.3 -0.974 15.3 159.5-120.6 115.1 62.3 68.7 13.2 7 7 A Y E +ab 97 122A 3 114,-2.8 116,-2.8 -2,-0.5 91,-0.2 -0.936 6.7 108.6-135.2 159.7 62.0 65.3 11.6 8 8 A G - 0 0 0 89,-1.0 116,-0.1 -2,-0.3 4,-0.1 -0.902 59.1 -42.1 159.6 179.4 63.9 63.1 9.2 9 9 A P S S- 0 0 0 0, 0.0 3,-0.4 0, 0.0 5,-0.3 -0.107 70.5 -75.7 -68.9 166.6 66.0 60.0 8.8 10 10 A T S S+ 0 0 25 1,-0.2 125,-0.1 201,-0.2 205,-0.0 -0.189 113.0 21.8 -51.2 145.7 68.8 58.8 11.1 11 11 A C S S+ 0 0 20 -3,-0.1 -1,-0.2 1,-0.1 123,-0.1 0.899 82.1 124.1 55.2 44.0 72.2 60.5 11.0 12 12 A S S S- 0 0 21 -3,-0.4 -2,-0.1 -4,-0.1 -1,-0.1 0.183 83.0-111.6-111.6 16.7 70.7 63.8 9.5 13 13 A G S > S+ 0 0 40 1,-0.1 4,-2.3 3,-0.0 3,-0.2 0.534 75.1 136.7 63.5 10.9 72.1 66.0 12.4 14 14 A K H > + 0 0 21 -5,-0.3 4,-2.7 1,-0.2 5,-0.2 0.871 67.7 55.9 -50.3 -45.4 68.5 66.7 13.6 15 15 A T H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 109.4 43.7 -58.5 -46.2 69.6 66.3 17.2 16 16 A D H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 112.0 52.9 -66.2 -42.7 72.3 68.9 17.0 17 17 A M H X S+ 0 0 60 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.933 109.8 49.0 -58.9 -47.0 70.1 71.3 15.2 18 18 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.902 109.7 52.6 -53.5 -50.0 67.4 70.8 18.0 19 19 A I H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.901 106.1 53.5 -54.9 -39.8 70.0 71.5 20.7 20 20 A Q H X S+ 0 0 89 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.952 110.5 45.3 -67.0 -45.2 71.1 74.7 19.0 21 21 A I H X S+ 0 0 26 -4,-2.0 4,-2.9 1,-0.2 6,-0.3 0.894 112.5 54.2 -61.4 -34.3 67.5 76.0 18.9 22 22 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.903 106.8 48.9 -71.0 -43.9 67.2 74.9 22.6 23 23 A Q H < S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.936 116.4 44.0 -59.5 -46.0 70.3 76.8 23.7 24 24 A E H < S+ 0 0 139 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.911 125.6 30.6 -65.1 -42.8 69.1 80.0 22.0 25 25 A T H < S- 0 0 55 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.764 92.3-130.7 -87.6 -31.4 65.4 79.8 23.1 26 26 A G < + 0 0 67 -4,-2.7 -4,-0.1 -5,-0.3 -3,-0.1 0.462 62.3 138.3 88.1 -2.2 65.7 78.0 26.5 27 27 A W - 0 0 34 -6,-0.3 -1,-0.3 -5,-0.1 30,-0.3 -0.422 55.1-114.2 -80.8 145.1 62.9 75.6 25.3 28 28 A P - 0 0 12 0, 0.0 66,-2.0 0, 0.0 2,-0.5 -0.461 21.1-130.7 -72.9 156.1 63.0 71.8 26.0 29 29 A V E -cd 58 94A 2 28,-2.2 30,-3.2 64,-0.2 2,-0.6 -0.977 13.9-153.5-105.9 124.3 63.4 69.3 23.2 30 30 A V E -cd 59 95A 0 64,-3.2 66,-2.1 -2,-0.5 2,-0.4 -0.892 19.4-129.2 -96.8 119.1 61.0 66.4 23.3 31 31 A A E - d 0 96A 0 28,-2.6 2,-1.8 -2,-0.6 30,-0.3 -0.526 8.0-153.6 -73.9 120.3 62.5 63.3 21.5 32 32 A L + 0 0 0 64,-3.0 67,-1.7 -2,-0.4 2,-0.3 -0.509 61.7 108.8 -90.6 68.6 60.2 61.8 18.9 33 33 A D - 0 0 23 -2,-1.8 28,-0.4 64,-0.2 -2,-0.1 -0.972 50.6-167.8-147.6 127.8 61.8 58.4 19.4 34 34 A R S > S+ 0 0 64 -2,-0.3 3,-1.7 2,-0.1 37,-0.5 0.868 90.9 54.2 -80.9 -42.6 60.4 55.2 21.0 35 35 A V G > S+ 0 0 28 1,-0.3 3,-2.2 2,-0.2 6,-0.2 0.898 98.6 63.3 -64.8 -36.2 63.7 53.3 21.2 36 36 A Q G 3 S+ 0 0 6 1,-0.3 -1,-0.3 9,-0.2 -2,-0.1 0.575 83.2 79.4 -69.1 -3.7 65.5 56.1 23.1 37 37 A C G < S+ 0 0 0 -3,-1.7 27,-2.7 1,-0.2 -1,-0.3 0.474 78.1 77.6 -80.1 2.4 63.0 55.6 25.9 38 38 A C X - 0 0 0 -3,-2.2 3,-2.4 25,-0.2 -1,-0.2 -0.828 63.4-172.0-107.4 95.9 65.2 52.6 27.0 39 39 A P G > S+ 0 0 50 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.730 78.9 76.0 -61.3 -18.7 68.2 54.2 28.8 40 40 A Q G 3 S+ 0 0 89 24,-0.4 119,-0.2 1,-0.3 3,-0.1 0.746 107.8 34.5 -66.6 -16.4 70.0 50.8 29.0 41 41 A I G <> S+ 0 0 0 -3,-2.4 4,-2.8 -6,-0.2 -1,-0.3 -0.092 79.7 133.4-121.3 28.5 70.6 51.4 25.2 42 42 A A T <4>S+ 0 0 24 -3,-2.1 5,-2.1 2,-0.2 4,-0.5 0.892 73.6 43.9 -39.4 -51.3 71.1 55.2 25.5 43 43 A T T >45S+ 0 0 10 -4,-0.2 3,-1.6 1,-0.2 -1,-0.2 0.983 117.1 41.3 -68.2 -55.0 74.3 55.2 23.3 44 44 A G T 345S+ 0 0 5 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.782 110.5 58.0 -68.1 -31.5 73.2 52.9 20.5 45 45 A S T 3<5S- 0 0 18 -4,-2.8 -1,-0.3 -7,-0.2 -9,-0.2 0.595 120.8-103.5 -72.8 -7.6 69.7 54.3 20.3 46 46 A G T < 5 + 0 0 18 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.587 59.2 162.5 98.7 9.7 71.1 57.8 19.6 47 47 A R < - 0 0 52 -5,-2.1 -1,-0.2 -6,-0.3 3,-0.1 -0.422 43.3-115.8 -58.9 129.0 70.7 59.7 22.9 48 48 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.354 33.7-100.2 -65.1 155.0 72.9 62.7 22.9 49 49 A L > - 0 0 33 1,-0.1 4,-1.1 -6,-0.0 3,-0.2 -0.442 25.5-119.6 -70.3 150.8 75.8 62.8 25.5 50 50 A E T >4>S+ 0 0 153 1,-0.2 3,-0.5 2,-0.2 5,-0.5 0.873 118.5 53.5 -56.6 -37.6 75.1 64.9 28.6 51 51 A S G >45S+ 0 0 63 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.852 107.3 51.1 -65.8 -36.3 78.2 66.9 27.6 52 52 A E G 345S+ 0 0 76 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.665 92.5 74.5 -72.3 -23.4 76.7 67.5 24.1 53 53 A L G X<5S- 0 0 14 -4,-1.1 3,-1.8 -3,-0.5 -1,-0.2 0.666 86.6-149.5 -66.9 -16.8 73.4 68.7 25.6 54 54 A Q T < 5 - 0 0 106 -3,-0.9 -3,-0.1 -4,-0.3 -2,-0.1 0.867 67.2 -55.2 46.8 43.8 75.1 72.0 26.5 55 55 A S T 3 - 0 0 65 0, 0.0 3,-1.8 0, 0.0 -27,-0.0 -0.454 33.5-132.8 -61.0 131.9 63.4 48.5 31.0 66 66 A L G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.2 4,-0.1 0.835 105.7 62.6 -55.7 -33.2 64.4 47.1 27.5 67 67 A T G 3 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.631 89.8 66.3 -77.7 -8.2 62.8 43.8 28.5 68 68 A E G < S- 0 0 126 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.300 118.2-110.8 -83.0 10.2 59.4 45.4 28.9 69 69 A G < - 0 0 21 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.1 0.331 41.9 -56.8 75.1 152.1 59.6 45.9 25.1 70 70 A I S S- 0 0 38 1,-0.1 -35,-0.1 -4,-0.1 -36,-0.1 -0.375 70.6 -94.1 -61.2 134.4 60.1 49.1 23.1 71 71 A L - 0 0 2 -37,-0.5 -1,-0.1 1,-0.1 2,-0.1 -0.238 46.1-116.8 -52.4 132.7 57.3 51.6 23.9 72 72 A D > - 0 0 69 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.428 18.3-115.9 -76.0 160.9 54.5 51.2 21.4 73 73 A A H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.825 112.5 50.2 -62.6 -41.7 53.6 54.1 19.0 74 74 A E H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 114.3 46.5 -73.2 -40.5 50.1 54.7 20.3 75 75 A S H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 112.9 48.2 -61.3 -44.8 51.3 54.8 23.8 76 76 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.822 110.1 54.2 -65.3 -28.5 54.2 57.1 22.9 77 77 A H H X S+ 0 0 17 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.953 108.2 46.9 -71.2 -45.9 51.8 59.3 21.1 78 78 A R H X S+ 0 0 158 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.908 112.4 51.9 -56.3 -46.9 49.5 59.7 24.1 79 79 A R H X S+ 0 0 94 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.865 109.1 51.5 -55.3 -41.1 52.6 60.4 26.2 80 80 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.862 105.0 52.9 -69.1 -37.5 53.6 63.1 23.7 81 81 A I H X S+ 0 0 47 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.922 110.3 52.1 -63.0 -41.2 50.3 64.8 23.7 82 82 A F H X S+ 0 0 117 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.909 106.6 49.1 -60.4 -48.0 50.7 65.0 27.5 83 83 A E H < S+ 0 0 34 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.826 118.6 41.8 -64.9 -29.4 54.2 66.5 27.6 84 84 A V H >< S+ 0 0 0 -4,-1.8 3,-1.4 -5,-0.2 4,-0.3 0.963 113.3 51.4 -78.6 -52.0 53.0 69.1 25.1 85 85 A D H >< S+ 0 0 64 -4,-3.3 3,-1.6 1,-0.3 -2,-0.2 0.858 108.9 47.8 -58.4 -48.4 49.7 69.8 26.7 86 86 A W T 3< S+ 0 0 126 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.718 110.5 54.3 -66.5 -19.2 50.9 70.4 30.3 87 87 A R T X S+ 0 0 17 -3,-1.4 3,-2.9 -4,-0.5 -1,-0.3 0.343 73.6 119.8 -91.1 8.7 53.6 72.8 29.0 88 88 A K T < + 0 0 142 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 0.668 64.2 62.4 -51.7 -29.8 50.8 74.8 27.1 89 89 A S T 3 S+ 0 0 126 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.743 87.9 97.8 -51.6 -34.0 51.7 78.1 29.1 90 90 A E S < S- 0 0 74 -3,-2.9 3,-0.1 1,-0.1 -88,-0.1 -0.157 81.4-124.0 -69.9 155.3 55.2 78.0 27.6 91 91 A E S S- 0 0 148 1,-0.2 -89,-2.5 -90,-0.1 2,-0.3 0.881 80.7 -23.2 -63.0 -41.6 56.2 80.1 24.5 92 92 A G E -a 2 0A 0 -91,-0.2 2,-0.3 -5,-0.1 -89,-0.2 -0.993 49.1-147.4-162.5 171.7 57.4 77.1 22.5 93 93 A L E -a 3 0A 0 -91,-2.3 -89,-3.3 -2,-0.3 2,-0.5 -0.992 16.9-133.5-148.2 150.3 58.7 73.5 22.3 94 94 A I E -ad 4 29A 0 -66,-2.0 -64,-3.2 -2,-0.3 2,-0.5 -0.937 16.0-168.5-106.1 124.2 61.0 71.6 20.0 95 95 A L E +ad 5 30A 0 -91,-2.1 -89,-3.2 -2,-0.5 2,-0.4 -0.985 20.2 171.1-107.1 119.0 59.8 68.1 18.8 96 96 A E E +ad 6 31A 2 -66,-2.1 -64,-3.0 -2,-0.5 2,-0.3 -0.984 14.9 70.6-133.3 127.7 62.6 66.3 17.2 97 97 A G E -a 7 0A 2 -91,-1.9 -89,-1.0 -2,-0.4 -64,-0.2 -0.961 60.1-100.7 168.4-161.6 63.3 62.7 15.9 98 98 A G + 0 0 3 -2,-0.3 2,-0.7 -66,-0.2 -88,-0.2 -0.025 48.8 143.8-133.6 28.6 62.7 59.9 13.3 99 99 A S > - 0 0 12 -67,-1.7 4,-2.4 1,-0.2 5,-0.2 -0.644 32.3-162.4 -74.0 115.8 60.3 57.3 14.7 100 100 A I H > S+ 0 0 34 -2,-0.7 4,-2.2 2,-0.2 5,-0.2 0.975 88.2 47.1 -63.0 -51.8 58.3 56.3 11.6 101 101 A S H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 113.9 47.1 -62.4 -38.0 55.5 54.8 13.6 102 102 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.876 110.7 51.5 -72.3 -39.9 55.2 57.8 16.0 103 103 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.883 108.4 52.3 -57.4 -40.9 55.3 60.4 13.2 104 104 A N H >X S+ 0 0 51 -4,-2.2 4,-1.6 -5,-0.2 3,-0.5 0.931 108.6 50.5 -64.6 -40.0 52.5 58.5 11.4 105 105 A C H 3X S+ 0 0 26 -4,-1.9 4,-1.1 1,-0.3 3,-0.5 0.949 108.3 53.1 -60.2 -48.1 50.4 58.6 14.7 106 106 A M H 3< S+ 0 0 1 -4,-2.7 6,-0.3 1,-0.2 -1,-0.3 0.809 107.6 52.4 -52.2 -27.8 51.1 62.4 14.9 107 107 A A H << S+ 0 0 38 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.797 110.3 44.8 -89.0 -27.7 49.8 62.7 11.3 108 108 A K H < S+ 0 0 166 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.581 95.6 104.1 -83.3 -13.3 46.5 60.9 11.9 109 109 A S >< - 0 0 16 -4,-1.1 3,-0.8 -5,-0.2 4,-0.3 -0.588 61.2-152.7 -87.1 131.7 45.8 62.7 15.2 110 110 A P G > S+ 0 0 91 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.745 86.8 79.4 -61.2 -29.3 43.4 65.6 15.6 111 111 A F G > S+ 0 0 53 1,-0.3 3,-0.5 2,-0.2 -5,-0.1 0.834 95.2 42.5 -49.6 -43.2 45.5 67.0 18.5 112 112 A W G < S+ 0 0 8 -3,-0.8 -1,-0.3 -6,-0.3 4,-0.2 0.594 95.1 83.9 -84.3 -10.0 48.0 68.7 16.2 113 113 A R G < S+ 0 0 163 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 0.702 102.2 6.8 -68.1 -23.5 45.4 70.0 13.8 114 114 A S S < S+ 0 0 91 -3,-0.5 3,-0.1 -4,-0.5 -1,-0.0 -0.951 101.9 57.4-154.9 159.4 44.5 73.2 15.7 115 115 A G S S+ 0 0 65 -2,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.308 89.6 82.4 99.4 -5.4 45.7 75.1 18.7 116 116 A F - 0 0 37 -4,-0.2 2,-0.2 -114,-0.0 -114,-0.2 -0.949 62.5-140.5-133.8 149.6 49.4 75.6 17.6 117 117 A Q E -b 2 0A 119 -116,-2.1 -114,-2.1 -2,-0.3 2,-0.3 -0.643 39.3-154.5 -91.9 161.8 51.7 77.8 15.5 118 118 A W E -b 3 0A 61 -2,-0.2 2,-0.4 -116,-0.2 -114,-0.2 -0.999 30.0-167.7-146.9 136.8 54.4 75.6 13.8 119 119 A H E -b 4 0A 103 -116,-2.5 -114,-2.4 -2,-0.3 2,-0.5 -0.987 26.8-166.9-121.9 123.5 57.9 75.7 12.4 120 120 A V E +b 5 0A 32 -2,-0.4 2,-0.4 -116,-0.2 -114,-0.2 -0.939 14.0 176.9-116.1 127.1 58.4 72.6 10.4 121 121 A K E -b 6 0A 101 -116,-2.8 -114,-2.8 -2,-0.5 2,-0.5 -0.986 7.0-169.7-127.6 122.2 61.7 71.2 9.1 122 122 A R E -b 7 0A 19 -2,-0.4 2,-0.3 -116,-0.2 -114,-0.2 -0.949 12.1-153.1-101.6 123.0 62.1 67.8 7.2 123 123 A L - 0 0 35 -116,-2.8 2,-0.3 -2,-0.5 -111,-0.0 -0.751 17.0-146.6 -88.0 141.6 65.6 66.7 6.7 124 124 A R - 0 0 138 -2,-0.3 2,-0.4 -116,-0.1 -116,-0.0 -0.800 19.8-104.7-110.5 150.9 66.0 64.5 3.7 125 125 A L - 0 0 30 -2,-0.3 3,-0.1 90,-0.2 -113,-0.1 -0.599 44.2-166.0 -61.4 127.7 68.3 61.6 2.9 126 126 A G - 0 0 45 -2,-0.4 -1,-0.1 1,-0.3 2,-0.1 0.125 48.6 -25.9 -90.1-144.1 70.9 63.0 0.5 127 127 A D > - 0 0 131 1,-0.1 4,-2.2 4,-0.0 -1,-0.3 -0.398 63.9-122.3 -61.8 146.1 73.2 61.0 -1.6 128 128 A S H > S+ 0 0 55 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.840 108.2 50.6 -60.4 -42.9 74.0 57.5 -0.2 129 129 A D H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.864 111.7 48.5 -74.3 -30.7 77.8 57.9 0.0 130 130 A A H > S+ 0 0 54 2,-0.2 4,-1.9 3,-0.1 -2,-0.2 0.903 113.3 49.6 -65.5 -42.8 77.5 61.2 1.9 131 131 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.3 0.989 109.9 49.1 -58.5 -63.8 75.0 59.5 4.1 132 132 A L H X S+ 0 0 25 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.855 107.3 55.8 -38.9 -45.3 77.3 56.5 4.7 133 133 A T H X S+ 0 0 96 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.961 112.7 41.6 -56.9 -53.6 80.3 58.9 5.6 134 134 A R H X S+ 0 0 95 -4,-1.9 4,-2.3 -3,-0.3 -2,-0.2 0.860 113.4 55.2 -58.5 -40.5 78.1 60.5 8.4 135 135 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.986 108.3 46.8 -58.9 -58.8 76.8 57.0 9.4 136 136 A K H X S+ 0 0 104 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.805 111.1 52.2 -47.6 -39.7 80.3 55.6 10.0 137 137 A Q H X S+ 0 0 113 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.941 110.4 48.1 -67.7 -47.0 81.4 58.7 11.9 138 138 A R H X S+ 0 0 67 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.905 110.4 50.6 -56.3 -45.9 78.4 58.4 14.2 139 139 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.947 109.0 52.3 -59.5 -47.9 79.0 54.7 14.7 140 140 A A H X S+ 0 0 39 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.832 107.6 52.8 -54.3 -39.8 82.7 55.4 15.6 141 141 A E H >< S+ 0 0 79 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.949 109.5 47.3 -61.4 -42.1 81.5 57.9 18.1 142 142 A M H 3< S+ 0 0 4 -4,-2.0 10,-1.8 1,-0.3 11,-0.2 0.727 112.9 51.8 -74.1 -17.4 79.2 55.3 19.7 143 143 A F H 3< S+ 0 0 13 -4,-1.4 -1,-0.3 8,-0.2 -2,-0.2 0.672 81.6 112.8 -90.4 -24.0 82.1 52.9 19.7 144 144 A A S << S- 0 0 43 -4,-1.3 2,-0.6 -3,-0.6 8,-0.1 -0.266 73.6-119.1 -51.2 130.9 84.6 55.2 21.5 145 145 A I + 0 0 148 6,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.699 42.5 174.7 -74.0 118.6 85.6 54.0 25.0 146 146 A R - 0 0 89 3,-0.7 3,-0.4 -2,-0.6 5,-0.1 -0.913 36.8-141.1-121.4 151.9 84.5 56.8 27.4 147 147 A E S S+ 0 0 195 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.588 101.3 53.5 -88.3 -3.2 84.7 56.8 31.2 148 148 A D S S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.393 115.6 18.6-107.2 -0.2 81.3 58.6 31.4 149 149 A R S S- 0 0 29 -3,-0.4 -3,-0.7 -100,-0.0 -1,-0.2 -0.932 78.8-104.3-169.1 142.4 79.1 56.4 29.3 150 150 A P - 0 0 63 0, 0.0 -107,-0.1 0, 0.0 2,-0.1 -0.420 35.5-119.8 -73.0 145.0 79.0 52.9 28.0 151 151 A S > - 0 0 6 -8,-0.1 4,-2.5 -5,-0.1 -8,-0.2 -0.373 31.2-104.1 -67.4 162.2 79.7 52.2 24.3 152 152 A L H > S+ 0 0 0 -10,-1.8 4,-2.0 2,-0.2 -9,-0.1 0.837 124.9 51.5 -51.8 -35.1 77.1 50.5 22.1 153 153 A L H > S+ 0 0 4 -11,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 109.8 48.5 -79.1 -40.3 79.1 47.2 22.4 154 154 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 110.5 50.1 -58.3 -51.3 79.2 47.5 26.2 155 155 A E H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.911 113.4 49.2 -51.5 -43.4 75.4 48.2 26.3 156 156 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.899 110.9 46.6 -67.8 -43.5 74.9 45.2 24.1 157 157 A A H X S+ 0 0 23 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.904 110.9 54.0 -68.7 -39.8 77.2 42.8 26.2 158 158 A E H >< S+ 0 0 107 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.954 114.0 39.8 -56.8 -52.7 75.6 43.9 29.5 159 159 A L H >< S+ 0 0 4 -4,-2.1 3,-3.1 1,-0.2 6,-0.3 0.765 98.9 74.5 -68.6 -23.6 72.1 43.1 28.3 160 160 A W H 3< S+ 0 0 34 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 83.4 71.0 -70.6 -26.4 73.1 39.9 26.5 161 161 A N T << S+ 0 0 111 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.584 89.2 68.9 -45.6 -22.3 73.3 38.4 30.0 162 162 A Y S X> S- 0 0 122 -3,-3.1 3,-3.2 1,-0.1 4,-0.7 -0.907 75.1-153.3-112.9 102.2 69.4 38.6 30.2 163 163 A P T >4 S+ 0 0 91 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.793 92.9 58.2 -48.9 -39.3 67.9 36.1 27.7 164 164 A A T 3> S+ 0 0 62 1,-0.2 4,-0.6 2,-0.2 -4,-0.1 0.651 99.7 59.4 -58.5 -20.6 64.7 38.1 27.3 165 165 A A H <> S+ 0 0 0 -3,-3.2 4,-2.6 -6,-0.3 -1,-0.2 0.766 90.3 74.7 -80.8 -23.9 66.7 41.1 26.1 166 166 A R H < S+ 0 0 38 -4,-0.6 3,-1.4 2,-0.2 -2,-0.2 0.900 108.2 48.6 -70.7 -42.1 64.4 42.6 21.5 169 169 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 7,-0.5 0.885 103.1 62.8 -68.9 -36.9 68.0 43.8 20.7 170 170 A E T 3< S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.551 101.2 53.4 -58.0 -15.7 67.8 41.7 17.4 171 171 A D T < S+ 0 0 132 -3,-1.4 2,-0.4 -4,-0.2 -1,-0.3 0.177 96.7 86.8-103.7 16.6 64.9 44.1 16.3 172 172 A I S <> S- 0 0 11 -3,-2.0 4,-3.7 -137,-0.0 5,-0.3 -0.931 83.7-109.6-120.6 135.4 67.0 47.2 16.9 173 173 A D T 4 S+ 0 0 37 -2,-0.4 2,-1.9 1,-0.2 -2,-0.1 -0.240 101.4 14.3 -62.0 147.0 69.3 49.0 14.5 174 174 A G T > S+ 0 0 0 33,-0.2 4,-3.0 1,-0.2 -1,-0.2 -0.409 125.3 61.6 85.6 -60.3 73.1 48.8 15.2 175 175 A Y H > S+ 0 0 0 -2,-1.9 4,-2.7 2,-0.2 5,-0.2 0.960 101.2 49.3 -61.7 -55.2 72.3 46.0 17.7 176 176 A R H X S+ 0 0 82 -4,-3.7 4,-2.5 -7,-0.5 5,-0.3 0.933 115.0 47.1 -48.6 -50.8 70.9 43.6 15.1 177 177 A C H > S+ 0 0 12 -5,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.928 112.2 48.2 -57.8 -48.5 73.9 44.3 13.0 178 178 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.873 111.8 50.2 -59.0 -39.4 76.4 43.8 15.8 179 179 A I H X S+ 0 0 2 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.961 113.8 44.2 -67.8 -45.6 74.7 40.5 16.9 180 180 A R H X S+ 0 0 188 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.867 109.2 56.3 -64.3 -42.8 74.8 39.1 13.4 181 181 A F H X S+ 0 0 4 -4,-3.0 4,-1.4 -5,-0.3 -1,-0.2 0.937 108.4 49.6 -53.4 -45.0 78.4 40.3 12.9 182 182 A A H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 4,-0.4 0.873 112.6 44.6 -60.7 -39.0 79.3 38.2 16.0 183 183 A R H ><5S+ 0 0 142 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.911 108.4 59.7 -77.4 -37.6 77.6 35.0 14.9 184 184 A K H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 115.7 32.4 -58.5 -33.2 79.0 35.4 11.4 185 185 A H T 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.343 112.2-116.1-106.2 3.5 82.6 35.3 12.8 186 186 A D T < 5 + 0 0 149 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.823 66.0 143.4 62.3 36.4 81.8 32.9 15.6 187 187 A L < - 0 0 54 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.788 54.0-113.9-100.8 150.1 82.6 35.4 18.4 188 188 A A >> - 0 0 53 -2,-0.3 3,-0.8 1,-0.1 4,-0.6 -0.571 24.3-120.8 -75.6 146.5 80.7 35.7 21.6 189 189 A I G >4 S+ 0 0 10 1,-0.3 3,-1.0 -2,-0.2 -32,-0.1 0.832 115.8 60.5 -55.7 -36.5 78.8 38.9 22.0 190 190 A S G 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.891 103.2 54.3 -54.7 -38.6 80.9 39.5 25.2 191 191 A Q G X4 S+ 0 0 97 -3,-0.8 3,-1.7 1,-0.2 -1,-0.2 0.531 78.4 93.1 -78.4 -13.7 83.9 39.4 22.9 192 192 A L G X< S+ 0 0 1 -3,-1.0 3,-1.0 -4,-0.6 -1,-0.2 0.807 80.7 57.8 -53.1 -40.4 82.8 42.1 20.4 193 193 A P G 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.772 104.5 54.7 -60.6 -18.1 84.6 45.0 22.3 194 194 A N G < S+ 0 0 109 -3,-1.7 -2,-0.2 -4,-0.1 2,-0.1 0.166 76.2 129.5-108.4 22.1 88.0 43.1 21.9 195 195 A I < - 0 0 22 -3,-1.0 5,-0.1 1,-0.1 -3,-0.0 -0.483 67.3 -98.2 -76.1 143.7 88.1 42.6 18.2 196 196 A D >> - 0 0 102 -2,-0.1 4,-1.7 1,-0.1 3,-0.8 -0.119 38.8-106.9 -51.1 156.6 91.3 43.6 16.2 197 197 A A H 3> S+ 0 0 74 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.863 120.3 62.5 -65.3 -34.8 91.0 47.0 14.5 198 198 A G H 3> S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.865 108.2 42.1 -47.6 -41.1 90.7 45.3 11.1 199 199 A R H <> S+ 0 0 83 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.799 108.7 62.0 -79.1 -29.3 87.4 43.6 12.4 200 200 A H H X S+ 0 0 62 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.878 103.6 46.9 -61.1 -42.7 86.4 47.0 13.9 201 201 A V H X S+ 0 0 99 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.906 108.8 55.2 -70.3 -41.5 86.3 48.8 10.6 202 202 A E H X S+ 0 0 71 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.927 111.3 45.2 -59.3 -42.4 84.3 45.9 9.0 203 203 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.891 108.6 53.7 -71.6 -39.6 81.7 46.3 11.7 204 204 A I H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.950 112.5 49.2 -54.6 -44.7 81.5 50.2 11.6 205 205 A E H X S+ 0 0 113 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.910 109.9 47.9 -64.0 -46.2 80.8 49.7 7.9 206 206 A A H X S+ 0 0 24 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.877 110.7 51.4 -65.5 -37.0 78.2 47.1 8.3 207 207 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.947 108.3 52.2 -67.3 -43.3 76.3 49.1 10.9 208 208 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.854 107.6 52.3 -49.4 -45.2 76.3 52.2 8.6 209 209 A N H X S+ 0 0 78 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.907 108.1 50.8 -65.5 -43.1 74.8 50.0 5.9 210 210 A E H X S+ 0 0 25 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.832 110.1 51.3 -63.9 -27.7 72.1 49.0 8.3 211 211 A Y H X S+ 0 0 14 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.916 108.4 50.5 -73.1 -36.8 71.5 52.7 9.0 212 212 A L H X S+ 0 0 24 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.959 108.5 52.4 -65.2 -44.6 71.3 53.4 5.3 213 213 A E H X S+ 0 0 143 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.926 112.4 45.6 -56.0 -46.5 68.7 50.7 5.0 214 214 A H H X S+ 0 0 53 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.906 110.0 53.0 -63.0 -42.8 66.8 52.2 7.9 215 215 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.877 106.1 55.3 -62.3 -36.7 67.0 55.8 6.4 216 216 A L H X S+ 0 0 76 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.915 108.9 46.9 -60.4 -43.1 65.6 54.5 3.1 217 217 A S H X S+ 0 0 26 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.846 106.8 57.8 -62.6 -38.3 62.6 53.1 5.0 218 218 A Q H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.934 105.0 51.7 -59.4 -38.4 62.2 56.4 6.8 219 219 A E H < S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.838 115.2 41.4 -67.4 -35.6 61.9 58.1 3.4 220 220 A R H < S+ 0 0 160 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.946 123.1 33.9 -77.2 -51.4 59.2 55.7 2.3 221 221 A D H < S+ 0 0 81 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.657 88.4 110.9 -94.1 -10.3 57.0 55.5 5.4 222 222 A F S < S- 0 0 12 -4,-2.2 2,-0.1 -5,-0.4 -122,-0.1 -0.341 71.2-118.5 -52.5 132.4 57.4 59.0 6.8 223 223 A P - 0 0 14 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.387 22.6-116.6 -64.6 152.0 54.3 61.1 6.6 224 224 A Q - 0 0 169 -2,-0.1 -102,-0.0 -117,-0.0 -2,-0.0 -0.847 33.2-150.1 -95.9 101.4 54.5 64.2 4.5 225 225 A W - 0 0 30 -2,-1.0 2,-0.2 1,-0.1 -103,-0.1 -0.541 18.8-114.8 -76.8 130.4 53.9 66.9 7.1 226 226 A P 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.432 360.0 360.0 -72.0 132.6 52.2 70.0 5.8 227 227 A E 0 0 178 -2,-0.2 -109,-0.1 -108,-0.0 -107,-0.1 0.820 360.0 360.0-109.8 360.0 54.4 73.2 5.8