==== 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 2ZE7 . COMPND 2 MOLECULE: ISOPENTENYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR H.SAKAKIBARA . 226 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 67.3 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 . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 1 0 0 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,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.3 54.2 79.3 21.7 2 2 A L E -ab 92 117A 30 89,-2.3 91,-1.8 114,-0.2 2,-0.5 -0.829 360.0-160.9 -92.2 124.5 56.8 78.8 18.8 3 3 A L E -ab 93 118A 0 114,-2.3 116,-2.0 -2,-0.5 2,-0.8 -0.946 4.2-157.0-101.4 123.9 57.8 75.2 18.1 4 4 A H E -ab 94 119A 29 89,-2.5 91,-2.3 -2,-0.5 2,-0.5 -0.885 16.4-161.2 -97.2 106.8 61.1 74.9 16.2 5 5 A L E -ab 95 120A 0 114,-2.7 116,-3.5 -2,-0.8 2,-0.5 -0.782 12.6-179.4 -96.5 126.0 60.9 71.5 14.6 6 6 A I E +ab 96 121A 0 89,-3.0 91,-2.0 -2,-0.5 2,-0.3 -0.951 13.8 156.0-122.6 113.7 64.1 69.9 13.4 7 7 A Y E +ab 97 122A 6 114,-2.3 116,-2.5 -2,-0.5 91,-0.2 -0.901 7.2 116.0-131.5 166.1 63.9 66.4 11.7 8 8 A G - 0 0 0 89,-0.6 116,-0.2 -2,-0.3 4,-0.1 -0.904 58.3 -44.3 157.9 177.6 66.0 64.3 9.3 9 9 A P S > S- 0 0 0 0, 0.0 3,-0.8 0, 0.0 5,-0.3 -0.052 70.5 -71.5 -68.9 171.8 67.9 61.1 9.0 10 10 A T T 3 S+ 0 0 34 1,-0.2 125,-0.1 201,-0.2 36,-0.0 -0.167 115.8 18.2 -47.4 147.2 70.5 59.7 11.4 11 11 A C T 3 S+ 0 0 12 1,-0.1 -1,-0.2 -3,-0.1 124,-0.1 0.822 82.7 125.3 55.4 37.3 73.9 61.5 11.5 12 12 A S S < S- 0 0 23 -3,-0.8 -1,-0.1 -4,-0.1 -2,-0.1 0.243 83.1-106.4-103.0 4.7 72.6 64.7 10.0 13 13 A G S > S+ 0 0 30 110,-0.1 4,-1.9 3,-0.0 5,-0.2 0.692 72.4 142.4 77.1 21.2 73.8 67.1 12.8 14 14 A K H > S+ 0 0 19 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.959 70.7 46.8 -62.3 -48.2 70.2 67.6 14.1 15 15 A T H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.869 109.2 50.4 -62.9 -40.1 71.4 67.6 17.7 16 16 A D H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 113.8 49.6 -64.7 -37.9 74.3 70.0 17.4 17 17 A M H X S+ 0 0 69 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.934 111.8 46.6 -58.5 -51.0 71.9 72.3 15.6 18 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.862 110.5 53.2 -61.3 -44.3 69.3 72.0 18.3 19 19 A I H X S+ 0 0 8 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.906 108.8 50.5 -61.6 -36.7 71.9 72.6 21.0 20 20 A Q H X S+ 0 0 110 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.942 110.9 46.5 -71.0 -42.0 73.0 75.7 19.2 21 21 A I H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 6,-0.4 0.867 113.6 51.2 -64.3 -32.8 69.5 77.1 19.0 22 22 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.867 107.4 50.9 -72.5 -36.5 68.9 76.2 22.7 23 23 A Q H < S+ 0 0 94 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.884 114.9 45.1 -72.7 -32.7 72.1 77.9 23.8 24 24 A E H < S+ 0 0 136 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.948 126.9 26.5 -65.4 -51.6 70.9 81.1 21.9 25 25 A T H < S- 0 0 56 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.763 94.7-127.2 -91.1 -31.7 67.3 81.1 23.0 26 26 A G < + 0 0 64 -4,-2.6 -4,-0.2 1,-0.3 -3,-0.1 0.472 62.3 138.6 97.0 2.4 67.4 79.3 26.4 27 27 A W - 0 0 36 -6,-0.4 -1,-0.3 -5,-0.1 30,-0.3 -0.459 54.5-115.1 -89.8 154.4 64.7 76.9 25.3 28 28 A P - 0 0 16 0, 0.0 66,-2.1 0, 0.0 2,-0.5 -0.386 22.2-132.9 -76.7 166.9 64.8 73.2 26.1 29 29 A V E -cd 58 94A 4 28,-2.0 30,-3.0 64,-0.2 2,-0.6 -0.984 12.1-149.0-120.3 130.9 65.0 70.7 23.3 30 30 A V E -cd 59 95A 0 64,-3.5 66,-2.6 -2,-0.5 2,-0.5 -0.884 19.7-127.6-100.9 129.4 62.6 67.7 23.4 31 31 A A E - d 0 96A 0 28,-2.9 2,-1.9 -2,-0.6 30,-0.3 -0.549 10.7-155.8 -76.0 117.7 64.1 64.6 21.8 32 32 A L + 0 0 0 64,-2.7 67,-1.7 -2,-0.5 2,-0.4 -0.513 60.9 107.3 -91.3 68.5 61.7 63.1 19.1 33 33 A D - 0 0 29 -2,-1.9 28,-0.4 64,-0.2 -2,-0.1 -0.954 50.9-168.3-152.5 124.3 63.2 59.7 19.6 34 34 A R S > S+ 0 0 63 -2,-0.4 3,-1.5 2,-0.1 37,-0.6 0.865 89.6 54.6 -81.7 -43.1 61.9 56.7 21.2 35 35 A V G > S+ 0 0 31 1,-0.3 3,-1.9 2,-0.1 6,-0.2 0.909 99.1 63.5 -60.7 -35.9 65.1 54.6 21.3 36 36 A Q G 3 S+ 0 0 12 1,-0.3 -1,-0.3 9,-0.2 -2,-0.1 0.432 83.8 79.0 -67.4 -2.1 66.9 57.4 23.1 37 37 A C G < S+ 0 0 0 -3,-1.5 27,-2.4 1,-0.1 -1,-0.3 0.410 77.9 76.2 -86.8 2.2 64.5 56.9 26.0 38 38 A C X - 0 0 0 -3,-1.9 3,-1.8 25,-0.2 7,-0.2 -0.927 65.2-172.3-106.0 98.7 66.5 53.9 27.1 39 39 A P G > S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.705 78.7 74.3 -68.5 -16.7 69.6 55.5 28.8 40 40 A Q G 3 S+ 0 0 88 24,-0.4 119,-0.1 1,-0.3 3,-0.1 0.683 104.9 38.6 -65.2 -18.8 71.2 52.1 29.1 41 41 A I G <> S+ 0 0 0 -3,-1.8 4,-2.6 -6,-0.2 -1,-0.3 -0.080 81.8 133.7-116.4 30.0 71.8 52.4 25.3 42 42 A A T <4>S+ 0 0 9 -3,-2.0 5,-1.9 1,-0.2 4,-0.1 0.858 72.6 40.1 -44.9 -45.6 72.6 56.1 25.6 43 43 A T T >45S+ 0 0 12 -4,-0.2 3,-2.1 3,-0.2 -1,-0.2 0.977 117.2 43.9 -79.9 -49.4 75.6 56.0 23.4 44 44 A G T 345S+ 0 0 6 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.865 110.6 56.2 -65.2 -32.9 74.5 53.6 20.7 45 45 A S T 3<5S- 0 0 16 -4,-2.6 -1,-0.3 -7,-0.2 -9,-0.2 0.508 119.0-110.4 -78.0 0.1 71.2 55.3 20.4 46 46 A G T < 5 + 0 0 8 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.660 54.5 164.1 84.5 17.8 73.0 58.7 19.8 47 47 A R < - 0 0 41 -5,-1.9 -1,-0.2 -6,-0.3 2,-0.1 -0.429 43.7-113.5 -63.6 141.3 72.2 60.6 23.0 48 48 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.443 33.1 -98.5 -71.7 166.3 74.6 63.6 23.0 49 49 A L > - 0 0 22 1,-0.1 4,-1.1 -2,-0.1 3,-0.4 -0.336 24.7-120.4 -73.1 153.0 77.3 63.7 25.7 50 50 A E H >> S+ 0 0 152 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.905 117.9 57.9 -54.5 -45.1 76.7 65.8 28.9 51 51 A S H >4 S+ 0 0 74 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.848 105.3 50.2 -52.6 -36.6 79.9 67.7 27.8 52 52 A E H 34 S+ 0 0 59 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.701 94.9 67.9 -85.9 -13.5 78.2 68.5 24.5 53 53 A L H X< S- 0 0 15 -4,-1.1 3,-1.1 -3,-0.7 -1,-0.2 0.737 87.0-150.2 -66.3 -28.3 74.9 69.9 25.8 54 54 A Q T << - 0 0 121 -4,-0.7 -3,-0.1 -3,-0.5 3,-0.1 0.900 66.5 -51.9 51.6 49.3 76.8 72.8 27.1 55 55 A S T 3 S+ 0 0 114 -5,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.573 107.6 128.7 71.3 15.9 74.4 73.3 30.0 56 56 A T < - 0 0 17 -3,-1.1 2,-0.4 1,-0.0 -1,-0.2 -0.618 61.5-109.2 -98.6 159.7 71.3 73.4 27.7 57 57 A R - 0 0 172 -30,-0.3 -28,-2.0 -2,-0.2 2,-0.4 -0.766 28.4-173.6 -94.6 136.6 68.4 71.1 28.5 58 58 A R E -c 29 0A 27 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.988 12.0-156.4-130.6 128.2 67.4 68.1 26.5 59 59 A I E -c 30 0A 38 -30,-3.0 -28,-2.9 -2,-0.4 2,-0.3 -0.825 0.3-155.0-111.5 132.4 64.2 66.3 27.5 60 60 A Y - 0 0 45 -2,-0.4 -26,-0.1 -30,-0.2 -28,-0.1 -0.749 23.0-126.2-104.5 156.0 63.4 62.7 26.7 61 61 A L S S- 0 0 2 -28,-0.4 2,-0.3 -30,-0.3 -1,-0.1 0.751 88.1 -10.9 -78.0 -17.9 59.8 61.4 26.5 62 62 A D - 0 0 34 -28,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.938 58.2-133.3-158.7 171.0 60.4 58.6 29.1 63 63 A S + 0 0 91 -2,-0.3 -25,-0.2 -25,-0.1 -26,-0.1 -0.922 44.3 161.7-129.9 109.7 63.3 57.0 30.9 64 64 A R - 0 0 50 -27,-2.4 -24,-0.4 -2,-0.4 2,-0.1 -0.975 44.5-102.1-140.9 148.3 63.0 53.2 30.8 65 65 A P > - 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.400 34.3-127.5 -59.3 146.2 64.8 49.9 31.1 66 66 A L G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 -28,-0.0 0.884 108.0 63.9 -61.3 -37.2 65.7 48.4 27.7 67 67 A T G 3 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.501 89.6 68.5 -69.5 -4.9 64.0 45.1 28.8 68 68 A E G < S- 0 0 128 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.459 116.2-108.0 -85.9 -5.3 60.7 47.0 29.0 69 69 A G < - 0 0 20 -3,-2.3 -1,-0.2 -4,-0.2 3,-0.1 0.188 44.1 -62.9 89.7 148.8 60.8 47.3 25.2 70 70 A I S S- 0 0 35 1,-0.1 -35,-0.1 -3,-0.1 3,-0.1 -0.418 71.4 -89.8 -60.3 142.9 61.4 50.6 23.3 71 71 A L - 0 0 1 -37,-0.6 -1,-0.1 1,-0.1 -34,-0.1 -0.322 49.2-118.7 -58.7 125.0 58.7 53.1 24.0 72 72 A D > - 0 0 68 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.254 22.8-110.6 -66.1 159.7 55.9 52.5 21.4 73 73 A A H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.814 112.0 48.9 -63.8 -39.8 55.1 55.4 19.1 74 74 A E H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.8 49.7 -76.6 -31.3 51.6 56.3 20.4 75 75 A S H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.4 50.4 -62.2 -47.2 52.7 56.4 24.0 76 76 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.861 109.6 52.3 -52.3 -37.7 55.7 58.6 22.9 77 77 A H H X S+ 0 0 16 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.922 108.9 46.3 -73.9 -45.2 53.2 60.8 21.1 78 78 A R H X S+ 0 0 149 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.881 113.2 51.8 -55.9 -41.1 50.9 61.2 24.1 79 79 A R H X S+ 0 0 91 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.937 109.4 51.0 -63.8 -40.1 54.1 61.9 26.2 80 80 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.912 107.2 50.7 -64.2 -47.7 55.2 64.5 23.7 81 81 A I H X S+ 0 0 45 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.940 112.6 49.6 -54.3 -41.2 51.8 66.4 23.7 82 82 A F H X S+ 0 0 117 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.968 108.2 50.7 -68.6 -46.5 52.1 66.5 27.5 83 83 A E H < S+ 0 0 35 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.838 118.5 39.2 -59.2 -34.2 55.7 67.8 27.6 84 84 A V H >< S+ 0 0 2 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.903 113.8 56.0 -78.4 -44.1 54.8 70.6 25.2 85 85 A D H >< S+ 0 0 70 -4,-3.3 3,-1.7 -5,-0.3 -2,-0.2 0.874 104.9 49.1 -61.1 -44.0 51.3 71.2 26.8 86 86 A W T 3< S+ 0 0 117 -4,-2.6 3,-0.3 1,-0.3 -1,-0.3 0.688 108.9 53.2 -69.9 -14.5 52.6 71.9 30.4 87 87 A R T X S+ 0 0 19 -3,-1.0 3,-2.2 -4,-0.3 -1,-0.3 0.224 74.5 129.6 -99.7 12.3 55.1 74.3 29.1 88 88 A K T < + 0 0 147 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.615 69.2 50.9 -40.5 -28.5 52.2 76.2 27.2 89 89 A S T 3 S+ 0 0 110 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.667 87.3 95.4 -94.3 -22.8 53.2 79.5 28.7 90 90 A E S < S- 0 0 70 -3,-2.2 3,-0.1 1,-0.1 -63,-0.0 -0.203 84.9-110.0 -63.1 164.3 57.0 79.6 27.8 91 91 A E S S- 0 0 149 1,-0.2 -89,-2.3 -90,-0.1 2,-0.3 0.938 78.9 -33.9 -69.0 -45.9 58.1 81.4 24.6 92 92 A G E -a 2 0A 0 -91,-0.2 2,-0.3 -67,-0.1 -89,-0.2 -0.973 48.2-147.5-165.7 171.7 59.1 78.3 22.5 93 93 A L E -a 3 0A 0 -91,-1.8 -89,-2.5 -2,-0.3 2,-0.5 -0.964 19.1-124.6-147.3 159.6 60.6 74.9 22.5 94 94 A I E -ad 4 29A 0 -66,-2.1 -64,-3.5 -2,-0.3 2,-0.5 -0.928 16.7-165.4-114.9 128.3 62.7 72.9 20.2 95 95 A L E +ad 5 30A 0 -91,-2.3 -89,-3.0 -2,-0.5 2,-0.4 -0.975 19.6 169.5-109.8 121.2 61.6 69.5 19.0 96 96 A E E +ad 6 31A 3 -66,-2.6 -64,-2.7 -2,-0.5 2,-0.3 -0.979 13.1 97.1-138.2 130.0 64.4 67.5 17.4 97 97 A G E -a 7 0A 1 -91,-2.0 -89,-0.6 -2,-0.4 -64,-0.2 -0.967 56.1-118.5 172.1 178.1 64.7 63.9 16.2 98 98 A G + 0 0 7 -2,-0.3 2,-0.5 -66,-0.2 -88,-0.2 0.119 52.5 140.1-124.4 16.5 64.7 61.2 13.6 99 99 A S > - 0 0 12 -67,-1.7 4,-2.4 1,-0.2 5,-0.2 -0.524 34.4-162.6 -68.1 115.9 61.9 58.8 14.8 100 100 A I H > S+ 0 0 35 -2,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.961 89.0 42.0 -65.0 -55.0 59.9 57.7 11.8 101 101 A S H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 115.6 50.8 -67.8 -38.5 56.9 56.4 13.6 102 102 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.949 109.5 49.8 -58.9 -49.9 56.9 59.4 16.1 103 103 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.859 110.3 51.5 -56.7 -32.0 57.1 62.0 13.2 104 104 A N H X S+ 0 0 54 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.861 106.5 52.9 -78.7 -30.3 54.2 60.3 11.5 105 105 A C H X S+ 0 0 30 -4,-1.6 4,-1.2 -3,-0.2 3,-0.2 0.931 110.5 49.6 -62.7 -47.8 52.1 60.4 14.7 106 106 A M H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 6,-0.3 0.933 108.9 50.4 -53.3 -52.2 52.7 64.1 14.8 107 107 A A H 3< S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.755 116.4 42.6 -61.4 -27.1 51.8 64.5 11.2 108 108 A K H 3< S+ 0 0 174 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.625 95.2 100.1 -93.2 -11.2 48.5 62.7 11.8 109 109 A S X< - 0 0 18 -4,-1.2 3,-0.6 -3,-0.9 4,-0.5 -0.519 64.0-146.0 -83.2 133.1 47.7 64.3 15.2 110 110 A P T 3 S+ 0 0 89 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.721 90.5 77.6 -64.6 -19.8 45.1 67.2 15.6 111 111 A F T > S+ 0 0 56 1,-0.2 3,-0.6 2,-0.1 -5,-0.1 0.850 94.6 43.2 -57.4 -40.8 47.2 68.7 18.4 112 112 A W T < S+ 0 0 4 -3,-0.6 -1,-0.2 -6,-0.3 4,-0.2 0.712 93.5 79.7 -83.1 -23.6 49.9 70.2 16.2 113 113 A R T 3 S+ 0 0 156 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.542 98.9 24.2 -76.6 -3.0 47.7 71.7 13.6 114 114 A S S < S+ 0 0 87 -3,-0.6 3,-0.1 -4,-0.3 -1,-0.0 -0.997 100.2 37.3-156.7 155.0 46.7 74.8 15.5 115 115 A G S S+ 0 0 70 -2,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.634 93.8 86.2 82.4 15.5 47.6 77.2 18.3 116 116 A F - 0 0 35 -4,-0.2 2,-0.2 -113,-0.0 -114,-0.2 -0.988 67.3-136.0-138.3 144.8 51.4 77.2 17.7 117 117 A Q E -b 2 0A 122 -116,-1.8 -114,-2.3 -2,-0.3 2,-0.3 -0.644 34.1-154.2 -82.7 159.7 53.8 79.2 15.4 118 118 A W E -b 3 0A 61 -2,-0.2 2,-0.4 -116,-0.2 -114,-0.2 -0.990 26.7-170.5-137.1 142.2 56.4 76.8 13.7 119 119 A H E -b 4 0A 107 -116,-2.0 -114,-2.7 -2,-0.3 2,-0.5 -0.981 26.1-166.5-121.1 123.7 59.9 77.0 12.3 120 120 A V E -b 5 0A 61 -2,-0.4 2,-0.5 -116,-0.2 -114,-0.2 -0.935 12.5-174.5-119.2 121.6 60.5 73.8 10.6 121 121 A K E -b 6 0A 104 -116,-3.5 -114,-2.3 -2,-0.5 2,-0.6 -0.959 3.2-169.3-119.2 127.2 63.9 72.4 9.4 122 122 A R E -b 7 0A 41 -2,-0.5 2,-0.3 -116,-0.2 -114,-0.2 -0.936 9.0-159.5-111.7 108.2 64.2 69.2 7.3 123 123 A L - 0 0 25 -116,-2.5 2,-0.3 -2,-0.6 -111,-0.1 -0.695 11.1-161.2 -87.8 148.7 67.8 67.9 6.9 124 124 A R - 0 0 148 -2,-0.3 2,-0.4 -116,-0.2 91,-0.0 -0.767 21.8-118.1-116.7 159.0 68.6 65.5 4.0 125 125 A L + 0 0 23 -2,-0.3 3,-0.1 90,-0.1 2,-0.1 -0.829 36.8 169.5 -88.6 142.6 71.2 63.1 3.1 126 126 A G + 0 0 58 -2,-0.4 -1,-0.1 1,-0.4 5,-0.0 0.069 58.5 33.1-112.6-122.1 72.9 64.1 -0.1 127 127 A D > - 0 0 111 1,-0.2 4,-3.5 -2,-0.1 -1,-0.4 -0.070 64.1-150.8 -43.3 114.3 76.0 62.3 -1.2 128 128 A S H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.788 100.2 54.4 -42.7 -38.5 75.8 58.6 -0.0 129 129 A D H > S+ 0 0 113 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.806 109.4 42.3 -76.1 -37.3 79.6 58.9 0.1 130 130 A A H > S+ 0 0 40 -3,-0.3 4,-2.7 2,-0.2 3,-0.4 0.892 111.4 58.8 -74.2 -45.1 79.7 61.9 2.4 131 131 A F H X S+ 0 0 0 -4,-3.5 4,-3.1 1,-0.2 -2,-0.2 0.943 105.9 47.7 -43.8 -52.7 76.9 60.3 4.4 132 132 A L H X S+ 0 0 23 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.851 110.8 51.3 -67.6 -30.3 79.2 57.3 5.0 133 133 A T H X S+ 0 0 101 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.2 0.962 111.7 46.1 -63.9 -54.3 82.1 59.5 6.0 134 134 A R H X S+ 0 0 91 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.970 114.5 50.8 -47.8 -53.8 80.0 61.4 8.5 135 135 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.877 105.8 52.2 -56.6 -49.4 78.6 58.0 9.7 136 136 A K H X S+ 0 0 78 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.843 109.3 51.9 -56.3 -38.0 82.0 56.3 10.2 137 137 A Q H X S+ 0 0 117 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.944 109.7 48.2 -60.9 -50.7 83.2 59.2 12.4 138 138 A R H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.911 111.8 50.5 -54.8 -44.8 80.1 59.1 14.6 139 139 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.930 106.6 53.5 -64.7 -44.0 80.5 55.3 15.0 140 140 A A H X S+ 0 0 41 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.868 109.6 49.7 -60.7 -31.8 84.2 55.7 16.0 141 141 A E H < S+ 0 0 87 -4,-1.8 3,-0.3 2,-0.2 -1,-0.2 0.865 107.9 51.4 -70.2 -39.5 83.1 58.2 18.7 142 142 A M H < S+ 0 0 12 -4,-2.0 10,-2.2 1,-0.2 11,-0.3 0.696 112.5 49.6 -65.1 -24.4 80.4 55.8 20.0 143 143 A F H < S+ 0 0 14 -4,-1.5 -2,-0.2 8,-0.2 -1,-0.2 0.605 84.7 116.1 -88.5 -15.0 83.3 53.3 20.1 144 144 A A S < S- 0 0 41 -4,-0.7 2,-0.7 -3,-0.3 -3,-0.1 -0.313 71.4-123.7 -60.6 128.5 85.7 55.6 22.0 145 145 A I - 0 0 150 6,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.648 42.8-172.9 -70.9 113.4 86.7 54.3 25.5 146 146 A R - 0 0 108 -2,-0.7 3,-0.3 3,-0.6 5,-0.1 -0.925 36.7-130.1-121.8 143.3 85.6 57.2 27.7 147 147 A E S S+ 0 0 192 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.814 105.8 29.4 -37.7 -44.1 86.0 58.1 31.3 148 148 A D S S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.550 116.3 40.4-112.0 -14.6 82.3 59.0 31.8 149 149 A R S S- 0 0 44 -3,-0.3 -3,-0.6 -100,-0.0 -1,-0.2 -0.985 74.9-115.3-149.0 128.7 80.2 56.9 29.4 150 150 A P - 0 0 59 0, 0.0 -107,-0.1 0, 0.0 2,-0.1 -0.249 35.6-116.8 -61.1 145.4 80.2 53.3 28.2 151 151 A S > - 0 0 8 -8,-0.1 4,-2.6 1,-0.1 -8,-0.2 -0.334 30.8-100.9 -71.4 171.7 80.9 52.7 24.5 152 152 A L H > S+ 0 0 0 -10,-2.2 4,-2.7 1,-0.2 -9,-0.1 0.888 126.6 49.9 -62.2 -40.8 78.3 51.1 22.3 153 153 A L H > S+ 0 0 4 -11,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.847 109.9 49.8 -71.3 -31.0 80.1 47.8 22.6 154 154 A E H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.889 113.0 46.6 -74.8 -41.4 80.3 48.1 26.4 155 155 A E H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.897 112.7 51.0 -56.6 -49.6 76.5 48.8 26.6 156 156 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.941 112.3 44.3 -57.0 -50.2 75.9 46.0 24.3 157 157 A A H < S+ 0 0 24 -4,-2.5 4,-0.3 2,-0.2 -2,-0.2 0.913 111.7 54.4 -62.2 -43.8 78.0 43.5 26.4 158 158 A E H >< S+ 0 0 111 -4,-2.5 3,-1.2 1,-0.2 4,-0.2 0.956 113.0 41.4 -48.5 -55.7 76.5 44.7 29.6 159 159 A L H >< S+ 0 0 9 -4,-2.2 3,-1.6 1,-0.3 6,-0.4 0.743 95.1 79.3 -75.9 -20.7 72.9 44.1 28.4 160 160 A W T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.602 82.5 70.8 -63.5 -9.5 73.8 40.7 26.7 161 161 A N T < S+ 0 0 101 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.865 85.4 69.3 -74.2 -34.4 73.6 39.3 30.1 162 162 A Y S X> S- 0 0 126 -3,-1.6 3,-2.0 -4,-0.2 4,-1.0 -0.747 73.7-155.0 -88.7 105.4 69.9 39.7 30.3 163 163 A P G >4 S+ 0 0 87 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.896 93.9 62.6 -48.4 -39.1 68.4 37.2 27.8 164 164 A A G 34 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.2 -4,-0.1 0.779 98.6 55.1 -58.2 -23.8 65.3 39.5 27.6 165 165 A A G <> S+ 0 0 0 -3,-2.0 4,-2.8 -6,-0.4 3,-0.5 0.777 92.6 76.2 -74.4 -31.5 67.5 42.4 26.2 166 166 A R H 4 S+ 0 0 38 -3,-0.5 3,-1.8 -4,-0.4 -2,-0.2 0.964 109.3 46.8 -78.9 -48.7 65.3 43.9 21.7 169 169 A L H >< S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.3 7,-0.2 0.856 102.7 64.7 -59.9 -40.9 68.9 44.8 20.8 170 170 A E T 3< S+ 0 0 56 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.624 104.3 49.6 -53.4 -12.3 68.6 42.6 17.6 171 171 A D T < S+ 0 0 126 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.3 0.230 95.5 84.7-113.4 5.8 66.0 45.1 16.5 172 172 A I S <> S- 0 0 12 -3,-2.2 4,-2.5 -137,-0.0 5,-0.2 -0.956 83.3-109.9-115.0 140.2 68.0 48.3 17.1 173 173 A D T 4 S+ 0 0 26 -2,-0.4 2,-1.0 1,-0.2 -2,-0.1 -0.361 99.4 18.4 -73.1 149.4 70.4 49.8 14.6 174 174 A G T > S+ 0 0 0 1,-0.1 4,-2.7 33,-0.1 -1,-0.2 -0.591 125.5 56.6 88.9 -62.8 74.2 49.6 15.4 175 175 A Y H > S+ 0 0 0 -2,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.898 102.9 54.4 -64.3 -43.3 73.5 46.9 18.0 176 176 A R H X S+ 0 0 66 -4,-2.5 4,-3.1 -7,-0.2 5,-0.2 0.949 113.0 43.9 -53.3 -54.3 71.8 44.7 15.3 177 177 A C H > S+ 0 0 14 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.933 111.8 50.2 -57.1 -55.5 74.9 45.0 13.2 178 178 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.891 115.2 45.9 -52.6 -41.2 77.4 44.5 16.0 179 179 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.935 112.9 48.1 -69.1 -46.3 75.5 41.4 17.0 180 180 A R H X S+ 0 0 125 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.877 112.9 51.6 -57.1 -37.0 75.2 40.1 13.3 181 181 A F H X S+ 0 0 17 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.912 105.5 52.2 -73.6 -45.0 78.9 40.8 13.0 182 182 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-0.4 0.938 112.5 46.8 -51.4 -50.1 79.8 38.8 16.2 183 183 A R H ><5S+ 0 0 144 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.885 108.7 56.6 -63.3 -39.6 77.9 35.8 14.8 184 184 A K H 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 115.9 34.8 -56.5 -40.7 79.5 36.2 11.4 185 185 A H T 3<5S- 0 0 55 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.255 111.7-113.0-108.1 15.2 83.0 35.9 12.8 186 186 A D T < 5 + 0 0 156 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.858 67.2 147.7 59.7 39.9 82.3 33.4 15.6 187 187 A L < - 0 0 50 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.2 -0.824 50.6-119.8-103.6 143.3 83.0 36.0 18.3 188 188 A A > - 0 0 54 -2,-0.4 3,-1.2 1,-0.1 4,-0.2 -0.578 23.6-123.4 -80.4 145.4 81.3 36.2 21.7 189 189 A I G > S+ 0 0 7 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.827 112.7 61.2 -53.5 -36.8 79.5 39.4 22.3 190 190 A S G 3 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.837 101.6 53.7 -57.4 -32.0 81.6 39.9 25.4 191 191 A Q G < S+ 0 0 95 -3,-1.2 4,-0.3 1,-0.2 3,-0.3 0.349 79.4 94.8 -89.8 2.3 84.7 39.9 23.2 192 192 A L S X S+ 0 0 0 -3,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.813 78.7 58.0 -65.4 -37.9 83.6 42.7 20.9 193 193 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.884 106.3 48.1 -57.7 -35.6 85.3 45.4 22.8 194 194 A N T 3 S+ 0 0 113 -3,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.357 78.4 147.9 -89.1 2.6 88.8 43.6 22.4 195 195 A I < - 0 0 19 -3,-0.8 5,-0.1 -4,-0.3 -3,-0.1 -0.121 52.0-109.4 -33.5 127.3 88.3 43.2 18.7 196 196 A D > - 0 0 112 3,-0.1 4,-1.4 4,-0.0 -1,-0.1 0.345 41.9 -70.2 -66.0-166.9 91.7 43.5 17.1 197 197 A A T 4 S+ 0 0 91 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.951 124.1 14.8 -51.5 -74.1 93.2 46.3 14.9 198 198 A G T > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.565 113.7 72.1 -83.8 -14.1 91.3 46.1 11.5 199 199 A R H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.945 98.3 54.1 -61.5 -45.9 88.5 43.8 12.7 200 200 A H H X S+ 0 0 65 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.791 105.2 53.8 -50.8 -35.5 87.5 47.1 14.4 201 201 A V H > S+ 0 0 85 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.917 105.0 51.4 -73.6 -44.1 87.6 48.8 11.0 202 202 A E H X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.799 110.7 50.3 -62.0 -28.6 85.2 46.3 9.3 203 203 A L H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.885 108.9 48.8 -79.4 -44.1 82.6 46.8 12.1 204 204 A I H X S+ 0 0 20 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.955 114.7 48.5 -54.2 -50.7 82.7 50.6 12.0 205 205 A E H X S+ 0 0 87 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.915 112.0 47.5 -54.9 -49.9 82.2 50.2 8.2 206 206 A A H X S+ 0 0 33 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.944 113.3 47.0 -59.9 -50.5 79.4 47.7 8.6 207 207 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.938 110.7 53.0 -57.3 -46.3 77.5 49.9 11.3 208 208 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.879 109.4 49.6 -55.1 -39.7 78.0 53.0 9.1 209 209 A N H X S+ 0 0 91 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.895 108.6 51.7 -67.4 -38.1 76.4 51.0 6.2 210 210 A E H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.862 106.9 54.3 -65.7 -34.6 73.5 50.0 8.4 211 211 A Y H X S+ 0 0 9 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.914 106.0 53.7 -62.6 -39.2 73.0 53.7 9.3 212 212 A L H X S+ 0 0 21 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.940 107.1 48.4 -57.9 -52.9 72.8 54.3 5.5 213 213 A E H X S+ 0 0 78 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.912 114.9 49.7 -50.0 -48.3 70.0 51.7 5.0 214 214 A H H X S+ 0 0 46 -4,-2.3 4,-1.5 1,-0.2 3,-0.4 0.932 109.9 46.2 -61.1 -50.1 68.3 53.4 8.0 215 215 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.822 111.5 54.4 -61.8 -32.3 68.7 57.0 6.7 216 216 A L H X S+ 0 0 79 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.802 110.1 45.9 -70.4 -28.3 67.4 55.8 3.2 217 217 A S H X S+ 0 0 13 -4,-1.4 4,-2.1 -3,-0.4 -2,-0.2 0.700 107.6 56.7 -92.5 -16.0 64.4 54.4 4.8 218 218 A Q H X S+ 0 0 4 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.903 107.0 49.8 -70.4 -42.2 63.9 57.5 6.9 219 219 A E H < S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.884 114.0 47.8 -60.7 -38.0 63.8 59.5 3.6 220 220 A R H < S+ 0 0 167 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.921 122.2 29.9 -62.6 -50.6 61.3 57.0 2.3 221 221 A D H < S+ 0 0 83 -4,-2.1 -2,-0.2 2,-0.0 -3,-0.2 0.626 87.1 113.0-100.7 -16.5 58.9 56.9 5.3 222 222 A F S < S- 0 0 13 -4,-2.5 2,-0.2 -5,-0.1 -122,-0.1 -0.072 71.8-109.9 -44.7 149.5 59.2 60.5 6.9 223 223 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.528 25.2-119.3 -74.0 156.3 56.0 62.7 6.7 224 224 A Q - 0 0 190 -2,-0.2 -2,-0.0 -117,-0.0 0, 0.0 -0.907 37.3-137.4 -88.4 115.1 56.2 65.6 4.4 225 225 A W 0 0 36 -2,-0.9 -103,-0.0 1,-0.1 -105,-0.0 -0.619 360.0 360.0 -80.0 132.8 55.7 68.3 7.0 226 226 A P 0 0 152 0, 0.0 -1,-0.1 0, 0.0 -106,-0.1 0.556 360.0 360.0 -18.9 360.0 53.3 71.3 6.0