==== 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 2ZE6 . 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) . 11432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 70.5 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 . 32 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 38.3 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 0 1 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 34 0, 0.0 116,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 147.0 52.4 77.6 21.6 2 2 A L E -ab 92 117A 29 89,-2.2 91,-2.6 114,-0.2 2,-0.5 -0.867 360.0-162.0 -98.7 125.3 55.1 77.3 18.9 3 3 A L E -ab 93 118A 0 114,-2.3 116,-1.9 -2,-0.5 2,-0.8 -0.948 4.2-159.3-109.5 123.5 56.1 73.8 18.0 4 4 A H E -ab 94 119A 29 89,-2.9 91,-2.5 -2,-0.5 2,-0.6 -0.873 13.6-164.2-108.6 102.7 59.4 73.4 16.1 5 5 A L E -ab 95 120A 0 114,-2.0 116,-3.0 -2,-0.8 2,-0.6 -0.732 10.3-178.9 -94.2 117.5 59.2 70.0 14.5 6 6 A I E +ab 96 121A 0 89,-3.1 91,-1.6 -2,-0.6 2,-0.3 -0.952 16.8 158.2-114.9 113.6 62.4 68.6 13.2 7 7 A Y E +ab 97 122A 4 114,-2.9 116,-2.6 -2,-0.6 91,-0.2 -0.899 7.7 103.9-129.9 162.1 62.1 65.2 11.5 8 8 A G - 0 0 0 89,-0.8 116,-0.2 -2,-0.3 4,-0.1 -0.902 60.6 -32.8 161.1-175.3 64.0 63.1 9.1 9 9 A P > - 0 0 0 0, 0.0 3,-0.7 0, 0.0 5,-0.3 -0.063 69.9 -80.5 -63.7 160.8 66.2 60.0 8.6 10 10 A T T 3 S+ 0 0 24 1,-0.2 125,-0.1 201,-0.2 205,-0.0 -0.209 113.9 23.1 -51.8 148.0 68.9 58.7 11.0 11 11 A C T 3 S+ 0 0 14 1,-0.1 -1,-0.2 -3,-0.1 123,-0.1 0.833 83.2 125.1 55.4 39.6 72.3 60.5 10.9 12 12 A S S < S- 0 0 22 -3,-0.7 -2,-0.1 -4,-0.1 -1,-0.1 0.243 83.5-109.0-102.7 5.5 70.8 63.7 9.5 13 13 A G S >> S+ 0 0 43 110,-0.1 4,-1.9 1,-0.0 3,-0.5 0.486 75.4 137.1 78.9 7.1 72.1 66.0 12.2 14 14 A K H 3> + 0 0 18 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.867 66.4 54.0 -52.2 -51.3 68.6 66.5 13.7 15 15 A T H 3> S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 111.3 44.4 -55.0 -42.3 69.7 66.2 17.4 16 16 A D H <> S+ 0 0 99 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.862 109.9 54.1 -75.3 -37.8 72.3 69.0 17.0 17 17 A M H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.953 112.1 46.1 -54.4 -51.5 70.1 71.3 15.2 18 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.866 109.4 53.6 -55.4 -50.0 67.6 70.9 18.0 19 19 A I H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.905 109.3 50.8 -57.6 -36.4 70.2 71.4 20.8 20 20 A Q H X S+ 0 0 106 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.941 110.4 46.0 -71.2 -43.8 71.2 74.7 19.1 21 21 A I H X S+ 0 0 27 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.919 113.1 53.0 -58.1 -41.1 67.7 76.0 18.9 22 22 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.868 105.7 52.3 -66.7 -37.8 67.3 74.9 22.5 23 23 A Q H < S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.1 41.5 -59.4 -39.8 70.5 76.8 23.6 24 24 A E H < S+ 0 0 136 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.881 126.3 29.8 -78.7 -40.6 69.1 80.0 21.9 25 25 A T H < S- 0 0 55 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.786 92.8-130.7 -89.0 -31.4 65.4 79.8 23.0 26 26 A G < + 0 0 65 -4,-2.1 -4,-0.1 -5,-0.4 -3,-0.1 0.445 61.1 139.0 85.5 2.1 65.7 78.0 26.3 27 27 A W - 0 0 32 -6,-0.3 -1,-0.3 1,-0.1 30,-0.3 -0.447 54.0-116.7 -80.8 148.2 62.9 75.5 25.2 28 28 A P - 0 0 13 0, 0.0 66,-1.7 0, 0.0 2,-0.4 -0.436 21.2-131.0 -71.0 163.5 63.2 71.7 25.9 29 29 A V E -cd 58 94A 2 28,-1.8 30,-2.8 64,-0.2 2,-0.5 -0.983 11.8-149.1-118.9 130.9 63.4 69.3 23.1 30 30 A V E -cd 59 95A 0 64,-3.0 66,-2.2 -2,-0.4 2,-0.6 -0.876 20.6-128.8-101.0 119.6 61.1 66.2 23.2 31 31 A A E - d 0 96A 0 28,-2.7 2,-1.8 -2,-0.5 30,-0.4 -0.702 10.1-153.9 -71.1 115.4 62.7 63.2 21.5 32 32 A L + 0 0 0 64,-2.3 67,-1.8 -2,-0.6 2,-0.3 -0.555 61.3 107.1 -90.1 66.9 60.3 61.8 19.0 33 33 A D - 0 0 31 -2,-1.8 28,-0.4 64,-0.2 -2,-0.1 -0.972 53.1-164.2-151.3 130.1 61.9 58.4 19.4 34 34 A R S > S+ 0 0 69 -2,-0.3 3,-1.0 2,-0.1 37,-0.6 0.796 91.6 54.5 -84.7 -34.4 60.5 55.2 21.0 35 35 A V G > S+ 0 0 30 1,-0.3 3,-2.0 2,-0.2 6,-0.2 0.885 97.7 62.8 -76.5 -39.6 63.9 53.4 21.2 36 36 A Q G 3 S+ 0 0 7 1,-0.3 -1,-0.3 9,-0.2 -2,-0.1 0.545 85.3 78.2 -56.7 -14.8 65.6 56.2 23.1 37 37 A C G < S+ 0 0 0 -3,-1.0 27,-2.5 1,-0.1 -1,-0.3 0.482 78.7 76.4 -74.4 -4.7 63.1 55.6 25.9 38 38 A C X - 0 0 0 -3,-2.0 3,-2.1 25,-0.2 7,-0.2 -0.882 65.8-171.7 -99.1 96.9 65.2 52.5 27.0 39 39 A P G > S+ 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.751 77.8 75.5 -65.8 -16.0 68.2 54.3 28.7 40 40 A Q G 3 S+ 0 0 89 24,-0.3 119,-0.1 1,-0.3 3,-0.1 0.714 105.9 36.0 -71.4 -14.6 70.0 50.9 29.0 41 41 A I G <> S+ 0 0 0 -3,-2.1 4,-2.7 -6,-0.2 -1,-0.3 -0.041 79.6 133.6-120.7 30.3 70.7 51.4 25.2 42 42 A A T <4>S+ 0 0 24 -3,-2.0 5,-2.3 2,-0.2 4,-0.3 0.897 73.5 44.5 -37.4 -52.4 71.1 55.1 25.5 43 43 A T T >45S+ 0 0 15 -4,-0.3 3,-2.2 1,-0.2 -1,-0.2 0.994 116.9 40.0 -69.4 -59.9 74.3 55.0 23.4 44 44 A G T 345S+ 0 0 5 1,-0.3 -1,-0.2 107,-0.1 -2,-0.2 0.800 111.8 58.2 -58.1 -31.5 73.3 52.7 20.6 45 45 A S T 3<5S- 0 0 16 -4,-2.7 -1,-0.3 -7,-0.2 -9,-0.2 0.530 120.2-105.3 -82.0 0.1 69.8 54.2 20.3 46 46 A G T < 5 + 0 0 7 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.586 56.3 163.8 93.1 8.3 71.3 57.7 19.7 47 47 A R < - 0 0 58 -5,-2.3 -1,-0.2 -6,-0.3 3,-0.1 -0.409 43.5-113.3 -62.2 136.1 70.9 59.7 22.9 48 48 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.282 37.6 -99.3 -64.3 155.7 73.1 62.8 22.9 49 49 A L >> - 0 0 29 1,-0.1 4,-1.4 -3,-0.1 3,-1.1 -0.486 27.9-116.7 -70.2 147.0 76.0 62.7 25.5 50 50 A E G >4>S+ 0 0 159 1,-0.3 3,-0.7 2,-0.2 5,-0.5 0.908 120.6 53.0 -48.1 -47.0 75.3 64.6 28.7 51 51 A S G >45S+ 0 0 65 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.791 104.7 56.2 -51.4 -37.6 78.3 66.9 27.6 52 52 A E G <45S+ 0 0 84 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.744 89.9 71.2 -72.7 -26.2 76.6 67.4 24.2 53 53 A L G X<5S- 0 0 14 -4,-1.4 3,-1.9 -3,-0.7 -1,-0.2 0.747 88.0-148.5 -63.0 -18.3 73.4 68.8 25.6 54 54 A Q T < 5S- 0 0 110 -3,-0.8 -3,-0.1 -4,-0.4 -2,-0.1 0.920 70.0 -54.8 50.2 42.3 75.3 71.9 26.6 55 55 A S T 3 - 0 0 67 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.324 35.7-125.7 -53.5 139.2 63.6 48.5 31.0 66 66 A L G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 -28,-0.0 0.867 108.4 62.7 -50.6 -38.7 64.5 47.1 27.6 67 67 A T G 3 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.551 88.6 68.5 -75.4 -0.6 62.9 43.8 28.5 68 68 A E G < S- 0 0 127 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.403 116.0-112.5 -90.2 2.9 59.5 45.5 28.8 69 69 A G < - 0 0 19 -3,-2.0 -1,-0.2 -4,-0.1 3,-0.1 0.188 43.7 -55.3 83.2 155.7 59.7 45.9 25.0 70 70 A I S S- 0 0 35 1,-0.1 -35,-0.1 -3,-0.1 -36,-0.0 -0.423 71.0 -91.4 -63.4 134.7 60.1 49.1 23.1 71 71 A L - 0 0 1 -37,-0.6 -1,-0.1 1,-0.1 -2,-0.1 -0.275 48.0-119.4 -45.0 123.5 57.4 51.7 23.9 72 72 A D > - 0 0 60 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.318 19.9-115.0 -69.0 160.3 54.6 51.1 21.4 73 73 A A H > S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.836 112.0 49.3 -65.9 -40.0 53.7 54.0 19.1 74 74 A E H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 114.3 46.9 -67.3 -45.6 50.1 54.7 20.3 75 75 A S H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.942 112.6 49.7 -57.4 -44.9 51.4 54.7 23.9 76 76 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.868 110.1 52.6 -61.6 -27.0 54.3 57.0 22.8 77 77 A H H X S+ 0 0 15 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.934 106.5 50.1 -77.6 -45.9 51.7 59.2 21.1 78 78 A R H X S+ 0 0 156 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.899 113.3 49.4 -45.5 -48.0 49.5 59.6 24.2 79 79 A R H X S+ 0 0 92 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.880 109.2 49.7 -63.7 -41.9 52.7 60.5 26.1 80 80 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.3 0.868 108.6 52.4 -67.1 -38.8 53.9 63.1 23.6 81 81 A I H X S+ 0 0 43 -4,-2.1 4,-3.9 1,-0.2 -1,-0.2 0.925 110.6 49.9 -65.2 -41.9 50.5 64.8 23.6 82 82 A F H X S+ 0 0 119 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.937 108.1 50.7 -62.8 -44.3 50.7 64.9 27.4 83 83 A E H < S+ 0 0 36 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.804 118.5 40.0 -64.0 -30.7 54.3 66.5 27.5 84 84 A V H >< S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.2 4,-0.4 0.916 112.9 55.2 -79.9 -50.5 53.2 69.1 25.0 85 85 A D H >< S+ 0 0 61 -4,-3.9 3,-1.5 -5,-0.3 -2,-0.2 0.882 108.3 45.5 -54.3 -41.3 49.7 69.6 26.6 86 86 A W T 3< S+ 0 0 120 -4,-2.7 -1,-0.3 1,-0.3 3,-0.3 0.647 112.1 52.9 -81.5 -12.2 50.9 70.4 30.2 87 87 A R T X S+ 0 0 19 -3,-1.5 3,-2.5 -4,-0.3 -1,-0.3 0.328 73.0 118.4 -93.9 8.0 53.6 72.8 28.9 88 88 A K T < + 0 0 137 -3,-1.5 -1,-0.1 -4,-0.4 -2,-0.1 0.618 65.4 63.9 -52.8 -18.6 50.9 74.7 26.9 89 89 A S T 3 S+ 0 0 111 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.744 87.1 94.5 -74.2 -26.4 51.7 78.0 28.9 90 90 A E S < S- 0 0 71 -3,-2.5 -88,-0.1 1,-0.1 3,-0.1 -0.126 84.2-118.7 -67.9 154.5 55.3 78.1 27.4 91 91 A E S S- 0 0 149 1,-0.2 -89,-2.2 -90,-0.1 2,-0.3 0.907 81.9 -25.7 -61.8 -40.4 56.4 80.1 24.3 92 92 A G E -a 2 0A 0 -91,-0.3 2,-0.3 -5,-0.1 -89,-0.2 -0.976 50.3-147.7-168.3 162.1 57.5 77.1 22.3 93 93 A L E -a 3 0A 0 -91,-2.6 -89,-2.9 -2,-0.3 2,-0.4 -0.966 16.5-131.9-143.5 156.6 58.8 73.6 22.3 94 94 A I E -ad 4 29A 0 -66,-1.7 -64,-3.0 -2,-0.3 2,-0.5 -0.925 15.8-170.7-114.8 129.3 61.1 71.6 20.0 95 95 A L E +ad 5 30A 0 -91,-2.5 -89,-3.1 -2,-0.4 2,-0.3 -0.995 17.4 166.5-120.0 114.2 60.0 68.1 18.8 96 96 A E E +ad 6 31A 3 -66,-2.2 -64,-2.3 -2,-0.5 2,-0.2 -0.998 15.2 96.9-132.5 136.3 62.9 66.3 17.1 97 97 A G E -a 7 0A 1 -91,-1.6 -89,-0.8 -2,-0.3 -64,-0.2 -0.929 57.3-115.4 170.5 175.7 63.3 62.6 16.1 98 98 A G + 0 0 8 -2,-0.2 2,-0.6 -91,-0.2 -88,-0.2 0.082 50.7 142.4-121.0 25.9 63.0 59.8 13.4 99 99 A S > - 0 0 12 -67,-1.8 4,-2.3 1,-0.2 5,-0.2 -0.587 31.3-166.0 -68.6 117.7 60.4 57.4 14.7 100 100 A I H > S+ 0 0 34 -2,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.956 87.4 43.9 -66.4 -54.2 58.4 56.3 11.7 101 101 A S H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.848 116.4 49.3 -67.2 -31.1 55.4 54.8 13.6 102 102 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 109.3 49.0 -76.2 -41.4 55.3 57.8 15.9 103 103 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.839 109.0 55.2 -62.5 -32.0 55.4 60.5 13.1 104 104 A N H X S+ 0 0 49 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.939 106.9 49.6 -69.9 -40.2 52.7 58.6 11.4 105 105 A C H X S+ 0 0 21 -4,-1.7 4,-1.8 1,-0.2 3,-0.3 0.920 109.0 52.2 -57.9 -49.5 50.5 58.8 14.6 106 106 A M H < S+ 0 0 1 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.881 109.5 50.8 -53.1 -34.9 51.2 62.5 14.8 107 107 A A H < S+ 0 0 43 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 113.7 42.5 -79.7 -28.8 50.0 62.8 11.2 108 108 A K H < S+ 0 0 141 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.669 96.4 103.5 -82.5 -20.0 46.7 60.9 11.8 109 109 A S >< - 0 0 17 -4,-1.8 3,-0.6 -5,-0.2 4,-0.5 -0.501 59.6-155.4 -77.9 130.1 46.1 62.8 15.2 110 110 A P T 3 S+ 0 0 84 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.693 86.8 78.9 -68.5 -28.2 43.5 65.6 15.5 111 111 A F T > S+ 0 0 57 1,-0.2 3,-0.6 2,-0.1 -5,-0.1 0.869 98.0 40.7 -44.8 -45.4 45.5 67.0 18.5 112 112 A W T < S+ 0 0 8 -3,-0.6 4,-0.3 -6,-0.3 -1,-0.2 0.751 96.7 83.1 -81.1 -20.9 48.1 68.6 16.1 113 113 A R T 3 S+ 0 0 166 -4,-0.5 2,-0.3 -3,-0.3 -1,-0.2 0.566 100.8 18.3 -55.9 -14.8 45.4 69.8 13.6 114 114 A S S < S+ 0 0 91 -3,-0.6 3,-0.1 -4,-0.3 -1,-0.0 -0.985 101.9 40.6-162.2 148.3 44.6 72.9 15.6 115 115 A G S S+ 0 0 68 -2,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.508 87.4 84.9 84.9 5.8 45.8 75.2 18.2 116 116 A F - 0 0 37 -4,-0.3 2,-0.3 -113,-0.0 -114,-0.2 -0.956 63.2-133.3-133.9 159.0 49.5 75.6 17.5 117 117 A Q E -b 2 0A 122 -116,-2.3 -114,-2.3 -2,-0.3 2,-0.3 -0.751 36.3-159.0 -96.1 157.3 52.0 77.7 15.4 118 118 A W E -b 3 0A 60 -2,-0.3 2,-0.4 -116,-0.2 -114,-0.2 -0.972 30.0-168.4-139.7 145.5 54.6 75.5 13.7 119 119 A H E -b 4 0A 106 -116,-1.9 -114,-2.0 -2,-0.3 2,-0.5 -0.963 27.6-165.3-125.6 122.4 58.0 75.7 12.1 120 120 A V E -b 5 0A 27 -2,-0.4 2,-0.4 -116,-0.2 -114,-0.2 -0.909 11.2-176.9-111.3 130.0 58.5 72.4 10.4 121 121 A K E -b 6 0A 98 -116,-3.0 -114,-2.9 -2,-0.5 2,-0.6 -0.995 4.7-169.8-126.1 127.6 61.8 71.2 9.2 122 122 A R E -b 7 0A 26 -2,-0.4 2,-0.2 -116,-0.2 -114,-0.2 -0.955 9.6-157.3-112.7 111.1 62.2 67.9 7.2 123 123 A L - 0 0 34 -116,-2.6 2,-0.3 -2,-0.6 -111,-0.1 -0.617 14.2-147.0 -85.6 146.6 65.8 66.8 6.8 124 124 A R - 0 0 148 -2,-0.2 2,-0.3 -116,-0.2 -116,-0.0 -0.824 19.8-101.0-117.5 154.1 66.4 64.5 3.8 125 125 A L - 0 0 29 -2,-0.3 3,-0.1 90,-0.2 -113,-0.1 -0.551 42.7-150.0 -68.0 131.7 68.8 61.6 3.1 126 126 A G - 0 0 43 1,-0.3 2,-0.1 -2,-0.3 -1,-0.1 0.179 48.6 -38.7 -79.8-156.1 71.6 62.8 0.9 127 127 A D > - 0 0 139 1,-0.1 4,-2.2 4,-0.0 -1,-0.3 -0.519 65.3-120.2 -54.3 139.8 73.6 60.9 -1.6 128 128 A S H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.775 109.8 56.2 -57.4 -36.8 74.1 57.5 -0.1 129 129 A D H > S+ 0 0 129 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.929 108.9 45.2 -67.8 -38.4 77.9 57.7 -0.1 130 130 A A H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.888 112.4 54.3 -69.5 -42.8 77.9 60.9 2.0 131 131 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 3,-0.3 0.980 106.1 49.8 -52.1 -58.9 75.4 59.3 4.2 132 132 A L H X S+ 0 0 26 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.803 107.5 56.9 -53.6 -28.1 77.6 56.3 4.8 133 133 A T H X S+ 0 0 92 -4,-1.2 4,-1.4 -3,-0.3 -1,-0.2 0.951 111.7 39.5 -70.0 -51.3 80.5 58.7 5.7 134 134 A R H X S+ 0 0 93 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.885 116.2 54.5 -53.9 -51.9 78.5 60.4 8.5 135 135 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.942 105.7 49.9 -52.8 -51.3 77.1 57.0 9.5 136 136 A K H X S+ 0 0 100 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.879 112.9 47.8 -58.5 -40.5 80.5 55.4 9.9 137 137 A Q H X S+ 0 0 113 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.890 110.7 51.2 -69.0 -40.5 81.7 58.4 12.1 138 138 A R H X S+ 0 0 69 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.934 109.9 49.4 -54.9 -53.3 78.6 58.3 14.2 139 139 A V H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.873 109.8 51.4 -56.0 -38.9 79.1 54.5 14.8 140 140 A A H X S+ 0 0 28 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.828 108.5 52.3 -69.7 -35.3 82.8 55.1 15.8 141 141 A E H >< S+ 0 0 100 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.925 110.0 47.7 -61.2 -38.2 81.6 57.7 18.2 142 142 A M H 3< S+ 0 0 11 -4,-1.9 10,-2.4 1,-0.2 11,-0.3 0.688 112.1 52.4 -79.0 -16.3 79.2 55.2 19.7 143 143 A F H 3< S+ 0 0 10 -4,-1.0 -1,-0.2 8,-0.2 -2,-0.2 0.630 82.5 111.8 -91.8 -18.3 82.0 52.6 19.9 144 144 A A << - 0 0 42 -4,-0.9 2,-0.7 -3,-0.6 8,-0.1 -0.359 69.5-125.4 -64.2 136.3 84.5 54.9 21.7 145 145 A I + 0 0 143 6,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.784 39.8 172.3 -84.1 112.3 85.4 53.8 25.3 146 146 A R - 0 0 88 3,-0.8 3,-0.2 -2,-0.7 5,-0.1 -0.789 42.5-128.7-118.0 164.0 84.7 56.7 27.6 147 147 A E S S+ 0 0 186 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.771 106.1 51.3 -72.3 -33.1 84.7 57.1 31.4 148 148 A D S S+ 0 0 86 1,-0.1 -1,-0.2 2,-0.0 -98,-0.1 0.444 114.2 20.2 -94.6 -5.3 81.2 58.7 31.4 149 149 A R S S- 0 0 30 -3,-0.2 -3,-0.8 -100,-0.0 2,-0.2 -0.962 74.8-105.7-165.2 143.6 79.1 56.3 29.3 150 150 A P - 0 0 65 0, 0.0 -107,-0.2 0, 0.0 -6,-0.1 -0.507 39.5-122.3 -70.4 134.1 78.9 52.6 28.1 151 151 A S > - 0 0 5 -2,-0.2 4,-3.0 -8,-0.1 5,-0.2 -0.200 29.9-100.1 -59.1 167.9 79.7 52.1 24.4 152 152 A L H > S+ 0 0 0 -10,-2.4 4,-1.7 2,-0.2 -9,-0.1 0.877 126.3 48.1 -57.0 -39.2 77.2 50.4 22.1 153 153 A L H > S+ 0 0 5 -11,-0.3 4,-2.6 2,-0.2 5,-0.2 0.915 110.7 52.1 -79.9 -29.4 79.1 47.1 22.4 154 154 A E H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.953 108.9 48.8 -69.8 -46.6 79.2 47.5 26.2 155 155 A E H X S+ 0 0 7 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.844 114.0 49.1 -50.6 -41.4 75.4 48.1 26.4 156 156 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.908 110.2 46.9 -69.5 -47.1 74.9 45.0 24.2 157 157 A A H X S+ 0 0 25 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.932 112.0 53.6 -64.4 -38.8 77.2 42.7 26.2 158 158 A E H >< S+ 0 0 111 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.960 114.0 39.7 -58.6 -50.5 75.5 43.8 29.5 159 159 A L H >< S+ 0 0 6 -4,-1.9 3,-2.3 1,-0.3 6,-0.3 0.766 96.7 77.3 -73.4 -26.9 72.0 43.0 28.3 160 160 A W H 3< S+ 0 0 31 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.728 82.4 72.4 -59.8 -15.2 73.0 39.8 26.5 161 161 A N T << S+ 0 0 105 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.838 87.6 67.8 -62.7 -33.2 73.0 38.4 30.0 162 162 A Y S X> S- 0 0 121 -3,-2.3 3,-2.1 -4,-0.2 4,-0.8 -0.832 75.3-151.7 -95.9 106.1 69.1 38.6 30.1 163 163 A P T >4 S+ 0 0 83 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.830 93.5 58.4 -49.8 -35.8 67.6 36.1 27.7 164 164 A A T 3> S+ 0 0 60 1,-0.2 4,-0.6 2,-0.2 -4,-0.1 0.696 99.1 59.8 -67.4 -15.8 64.4 38.2 27.2 165 165 A A H <> S+ 0 0 0 -3,-2.1 4,-2.8 -6,-0.3 5,-0.3 0.845 90.7 73.7 -79.8 -26.9 66.6 41.2 25.9 166 166 A R H < S+ 0 0 38 -4,-0.6 3,-1.6 -3,-0.2 -2,-0.2 0.946 110.0 45.2 -69.6 -47.9 64.2 42.6 21.5 169 169 A L H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 7,-0.4 0.782 101.1 68.3 -67.2 -28.9 67.8 43.8 20.6 170 170 A E T 3< S+ 0 0 75 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.640 101.1 51.7 -58.7 -16.6 67.6 41.6 17.4 171 171 A D T < S+ 0 0 130 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.3 0.150 94.4 88.8-107.3 17.2 64.9 44.1 16.2 172 172 A I S <> S- 0 0 10 -3,-1.7 4,-3.1 -137,-0.0 5,-0.3 -0.942 82.2-109.2-119.8 131.1 67.0 47.3 16.8 173 173 A D T 4 S+ 0 0 35 -2,-0.4 2,-1.4 1,-0.2 -2,-0.1 -0.241 101.3 13.4 -52.5 139.9 69.3 49.0 14.4 174 174 A G T > S+ 0 0 0 1,-0.2 4,-2.5 33,-0.2 -1,-0.2 -0.391 124.8 60.2 89.2 -59.8 73.0 48.7 15.3 175 175 A Y H > S+ 0 0 0 -2,-1.4 4,-2.7 2,-0.2 5,-0.2 0.963 102.9 50.4 -65.0 -50.3 72.4 46.0 17.8 176 176 A R H X S+ 0 0 74 -4,-3.1 4,-2.7 -7,-0.4 5,-0.3 0.924 113.3 47.1 -52.7 -50.3 70.9 43.6 15.2 177 177 A C H > S+ 0 0 1 -5,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.926 111.7 49.3 -55.4 -47.3 73.9 44.3 13.0 178 178 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.872 112.2 48.9 -64.4 -36.9 76.4 43.7 15.9 179 179 A I H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 3,-0.4 0.990 111.7 47.1 -68.1 -55.6 74.7 40.5 16.9 180 180 A R H X S+ 0 0 118 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.889 110.8 54.8 -50.2 -42.4 74.7 39.1 13.3 181 181 A F H X S+ 0 0 4 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.2 0.916 107.0 49.8 -58.9 -42.3 78.3 40.2 13.1 182 182 A A H >X>S+ 0 0 0 -4,-2.2 5,-2.3 -3,-0.4 3,-1.2 0.970 113.0 45.3 -60.0 -52.3 79.3 38.1 16.2 183 183 A R H ><5S+ 0 0 144 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.888 108.4 59.1 -62.5 -40.3 77.5 34.9 15.0 184 184 A K H 3<5S+ 0 0 137 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.788 115.6 33.2 -56.6 -31.1 79.1 35.4 11.5 185 185 A H H <<5S- 0 0 48 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 0.334 114.0-110.8-115.1 3.2 82.6 35.3 12.9 186 186 A D T <<5 + 0 0 153 -3,-1.0 2,-0.4 -4,-0.8 -3,-0.2 0.814 67.4 149.1 70.0 34.6 81.9 32.8 15.8 187 187 A L < - 0 0 50 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.794 50.8-122.1-100.6 132.8 82.4 35.4 18.4 188 188 A A >> - 0 0 53 -2,-0.4 3,-2.3 1,-0.1 4,-0.5 -0.572 26.4-122.8 -67.9 141.5 80.6 35.5 21.7 189 189 A I G >4 S+ 0 0 7 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.770 113.7 64.1 -54.4 -33.3 78.8 38.8 22.1 190 190 A S G 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 -33,-0.1 0.740 100.6 55.1 -55.8 -27.2 80.8 39.4 25.2 191 191 A Q G X4 S+ 0 0 86 -3,-2.3 3,-3.1 1,-0.2 -1,-0.2 0.661 78.3 90.0 -90.3 -15.2 83.8 39.4 23.0 192 192 A L G X< S+ 0 0 1 -3,-0.7 3,-1.2 -4,-0.5 -1,-0.2 0.837 83.7 57.2 -54.0 -39.9 82.8 42.1 20.5 193 193 A P G 3 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.428 106.7 50.3 -76.9 9.7 84.3 44.9 22.6 194 194 A N G < S+ 0 0 121 -3,-3.1 -2,-0.2 2,-0.0 -3,-0.1 0.191 83.6 147.7-115.8 22.7 87.8 43.1 22.4 195 195 A I < - 0 0 24 -3,-1.2 5,-0.2 1,-0.1 4,-0.1 -0.199 52.9 -92.0 -82.5 142.5 87.8 42.6 18.7 196 196 A D >> - 0 0 103 3,-0.1 4,-1.2 2,-0.1 3,-1.0 0.243 46.2 -93.0 -50.8 173.1 90.9 42.6 16.5 197 197 A A T 34 S+ 0 0 96 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.927 119.8 31.3 -52.0 -60.9 92.3 45.9 14.8 198 198 A G T 3> S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.224 107.5 69.4 -86.0 10.7 90.6 45.7 11.4 199 199 A R H <> S+ 0 0 78 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.720 90.4 62.4-101.8 -29.9 87.4 43.9 12.5 200 200 A H H X S+ 0 0 74 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.886 104.9 49.4 -46.0 -46.0 86.4 47.0 14.3 201 201 A V H > S+ 0 0 97 -4,-0.4 4,-2.4 2,-0.2 5,-0.2 0.892 108.0 51.3 -69.8 -42.2 86.4 48.5 10.8 202 202 A E H X S+ 0 0 88 -4,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.947 112.6 47.4 -58.9 -45.1 84.3 45.7 9.2 203 203 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.861 110.3 50.6 -69.3 -39.4 81.7 46.1 12.0 204 204 A I H X S+ 0 0 21 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.949 112.8 46.8 -59.3 -43.7 81.5 49.8 11.7 205 205 A E H X S+ 0 0 108 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.913 110.8 53.0 -70.7 -34.9 81.0 49.6 8.0 206 206 A A H X S+ 0 0 20 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.887 110.8 46.2 -65.2 -40.1 78.4 46.9 8.5 207 207 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 108.2 55.0 -69.6 -46.4 76.4 49.1 10.9 208 208 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.863 107.4 51.5 -48.0 -42.7 76.6 52.1 8.7 209 209 A N H X S+ 0 0 78 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.916 109.4 49.9 -68.3 -41.8 75.0 50.0 5.9 210 210 A E H X S+ 0 0 20 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.823 108.7 53.6 -61.0 -34.3 72.2 48.9 8.4 211 211 A Y H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.896 108.8 47.9 -63.2 -41.1 71.7 52.6 9.2 212 212 A L H X S+ 0 0 24 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.945 108.1 55.0 -69.4 -41.7 71.3 53.4 5.5 213 213 A E H X S+ 0 0 131 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.947 112.0 45.1 -49.7 -50.6 68.9 50.5 5.1 214 214 A H H X S+ 0 0 54 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.926 109.7 53.2 -62.0 -46.8 66.9 52.2 7.9 215 215 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.828 106.3 54.5 -56.7 -31.7 67.2 55.7 6.5 216 216 A L H X S+ 0 0 73 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.966 108.5 47.9 -68.6 -47.8 65.8 54.3 3.2 217 217 A S H X S+ 0 0 32 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.841 109.3 54.5 -53.2 -43.4 62.7 52.9 5.1 218 218 A Q H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.953 107.8 48.5 -59.3 -47.5 62.3 56.3 6.8 219 219 A E H < S+ 0 0 48 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.872 116.0 44.7 -59.2 -38.6 62.2 58.1 3.4 220 220 A R H < S+ 0 0 165 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.904 124.4 31.0 -65.4 -44.9 59.6 55.5 2.1 221 221 A D H < S+ 0 0 85 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.691 86.9 112.4-104.7 -26.4 57.3 55.5 5.2 222 222 A F S < S- 0 0 15 -4,-2.7 2,-0.1 -5,-0.3 -122,-0.1 -0.071 70.3-113.7 -38.4 137.4 57.6 58.9 6.8 223 223 A P - 0 0 13 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.455 24.5-116.4 -69.7 159.2 54.4 61.1 6.6 224 224 A Q - 0 0 184 -2,-0.1 -2,-0.0 -117,-0.0 0, 0.0 -0.869 32.9-153.2 -96.3 106.4 54.5 64.1 4.5 225 225 A W - 0 0 27 -2,-0.9 2,-0.1 1,-0.1 -103,-0.0 -0.706 20.8-111.9 -87.2 130.8 54.0 66.9 7.1 226 226 A P 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -106,-0.0 -0.339 360.0 360.0 -70.1 133.2 52.4 70.0 5.6 227 227 A E 0 0 168 -2,-0.1 -106,-0.0 -108,-0.0 -109,-0.0 -0.064 360.0 360.0-173.7 360.0 54.6 73.2 5.4