==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-APR-12 4EWN . COMPND 2 MOLECULE: IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HIS . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR B.REISINGER,M.BOCOLA,C.RAJENDRAN,F.LIST,R.STERNER . 243 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 0.8 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 . 23 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.9 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 1 1 0 1 0 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 D L 0 0 202 0, 0.0 240,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 124.0 5.2 -2.0 27.6 2 3 D A - 0 0 33 1,-0.1 240,-0.3 238,-0.1 2,-0.1 -0.303 360.0-118.9 -65.8 136.1 9.0 -1.4 27.6 3 4 D K - 0 0 44 238,-3.7 240,-0.4 1,-0.0 2,-0.4 -0.457 31.7-135.9 -69.2 147.3 10.3 2.2 27.9 4 5 D R E -a 214 0A 49 209,-1.8 211,-2.2 -2,-0.1 2,-0.5 -0.849 6.4-145.1-113.0 142.8 12.3 3.3 24.9 5 6 D I E -a 215 0A 0 -2,-0.4 39,-2.2 37,-0.2 40,-1.1 -0.922 23.8-167.2-102.5 128.2 15.6 5.2 24.7 6 7 D I E -ab 216 45A 0 209,-2.8 211,-2.2 -2,-0.5 2,-0.5 -0.947 11.3-149.6-124.5 131.5 15.8 7.4 21.7 7 8 D A E -ab 217 46A 0 38,-2.1 40,-2.7 -2,-0.4 2,-0.6 -0.843 10.0-150.2-101.3 135.5 18.7 9.2 20.3 8 9 D C E - b 0 47A 17 209,-2.5 2,-0.6 -2,-0.5 40,-0.2 -0.911 7.1-162.5-108.6 121.4 18.2 12.5 18.5 9 10 D L E - b 0 48A 6 38,-3.4 40,-2.6 -2,-0.6 2,-0.4 -0.902 11.7-143.9-106.4 114.8 20.7 13.4 15.7 10 11 D D E - b 0 49A 60 -2,-0.6 7,-1.8 38,-0.2 2,-0.4 -0.666 24.4-165.9 -79.1 129.4 20.8 17.1 14.7 11 12 D V E -Cb 16 50A 0 38,-3.3 40,-1.5 -2,-0.4 41,-0.5 -0.939 18.5-178.7-126.0 133.4 21.3 17.3 10.9 12 13 D K E > S-C 15 0A 93 3,-3.3 3,-1.3 -2,-0.4 38,-0.0 -0.987 79.9 -11.2-131.1 125.6 22.3 20.2 8.6 13 14 D D T 3 S- 0 0 106 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.891 130.0 -55.6 54.9 42.1 22.6 19.7 4.8 14 15 D G T 3 S+ 0 0 18 1,-0.2 2,-0.3 16,-0.0 -1,-0.3 0.685 120.4 103.1 64.2 19.3 22.3 16.0 5.4 15 16 D R E < S-C 12 0A 103 -3,-1.3 -3,-3.3 15,-0.1 2,-0.3 -0.959 79.6-103.1-128.1 152.7 25.2 15.9 7.8 16 17 D V E -C 11 0A 9 13,-2.9 2,-1.4 -2,-0.3 -5,-0.2 -0.558 35.5-121.3 -70.0 131.3 25.5 15.7 11.6 17 18 D V - 0 0 57 -7,-1.8 -7,-0.1 -2,-0.3 -1,-0.1 -0.600 50.2-158.0 -77.0 93.6 26.3 19.1 13.1 18 19 D K + 0 0 98 -2,-1.4 -1,-0.1 1,-0.1 11,-0.0 0.534 67.7 133.1 -76.8-148.9 29.5 18.0 14.8 19 20 D G + 0 0 65 203,-0.1 -1,-0.1 204,-0.0 -2,-0.1 0.139 63.0 131.8 102.5 4.3 31.9 18.9 17.5 20 21 D T - 0 0 8 -4,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.913 42.9-170.8 -56.3 -56.5 31.2 15.1 17.7 21 22 D N + 0 0 129 1,-0.2 2,-0.8 2,-0.1 3,-0.1 0.974 15.1 166.1 47.0 66.7 34.7 13.7 18.0 22 23 D F > + 0 0 3 1,-0.2 3,-0.6 3,-0.1 -1,-0.2 -0.840 7.3 177.1-101.2 89.2 33.9 10.0 17.6 23 24 D E T 3 S+ 0 0 173 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.840 79.5 58.8 -63.6 -34.7 37.5 8.8 17.0 24 25 D N T 3 S+ 0 0 89 -3,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.827 99.2 76.0 -60.0 -32.8 36.2 5.2 16.9 25 26 D L S < S- 0 0 23 -3,-0.6 3,-0.3 1,-0.1 -3,-0.1 -0.525 76.4-143.3 -80.7 147.3 34.0 6.4 14.0 26 27 D R S S+ 0 0 233 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.952 93.4 14.0 -70.8 -52.4 35.4 7.0 10.5 27 28 D D > - 0 0 53 3,-0.1 3,-1.5 1,-0.1 -1,-0.3 -0.897 63.5-167.9-133.0 101.2 33.2 10.0 9.7 28 29 D S T 3 S+ 0 0 14 -2,-0.4 -1,-0.1 -3,-0.3 -5,-0.0 0.629 87.9 56.8 -65.4 -14.9 31.4 11.6 12.7 29 30 D G T 3 S+ 0 0 0 -14,-0.1 -13,-2.9 5,-0.0 -1,-0.3 0.573 77.2 101.1 -95.4 -11.9 29.2 13.7 10.4 30 31 D D <> - 0 0 48 -3,-1.5 4,-2.7 -15,-0.2 5,-0.2 -0.670 59.1-159.8 -75.5 112.6 27.8 10.8 8.4 31 32 D P H > S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.794 90.0 53.4 -68.5 -30.0 24.3 10.3 9.9 32 33 D V H > S+ 0 0 11 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.912 111.1 45.9 -68.4 -44.7 24.0 6.8 8.5 33 34 D E H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.963 117.9 43.2 -58.8 -52.5 27.3 5.8 10.1 34 35 D L H X S+ 0 0 0 -4,-2.7 4,-2.3 -7,-0.2 -2,-0.2 0.920 115.4 48.7 -64.0 -45.0 26.3 7.5 13.4 35 36 D G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.881 110.3 50.8 -61.3 -40.5 22.8 6.1 13.3 36 37 D K H X S+ 0 0 62 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.917 109.2 52.1 -63.9 -41.4 24.0 2.6 12.6 37 38 D F H X S+ 0 0 48 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.935 110.0 47.9 -57.5 -49.2 26.4 2.8 15.5 38 39 D Y H X>S+ 0 0 6 -4,-2.3 5,-2.3 1,-0.2 4,-0.6 0.895 109.8 53.8 -59.7 -45.1 23.6 3.9 17.9 39 40 D S H ><5S+ 0 0 25 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.889 109.9 47.9 -51.2 -46.6 21.4 1.1 16.6 40 41 D E H 3<5S+ 0 0 125 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.814 107.3 54.1 -71.7 -30.8 24.1 -1.4 17.4 41 42 D I H 3<5S- 0 0 61 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.499 128.0 -86.7 -86.1 -2.7 24.9 -0.2 20.9 42 43 D G T <<5S+ 0 0 14 -3,-0.7 -37,-0.2 -4,-0.6 -3,-0.2 0.448 71.0 151.0 118.4 0.6 21.2 -0.5 22.0 43 44 D I < - 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 -37,-0.2 -0.401 35.5-149.9 -61.7 137.8 19.4 2.7 21.1 44 45 D D - 0 0 13 -39,-2.2 2,-0.3 1,-0.2 -38,-0.2 0.806 68.6 -2.3 -85.4 -29.9 15.7 1.8 20.5 45 46 D E E -b 6 0A 14 -40,-1.1 -38,-2.1 24,-0.1 2,-0.4 -0.978 64.2-133.7-152.3 160.4 14.8 4.5 17.9 46 47 D L E -bd 7 71A 0 24,-1.9 26,-2.7 -2,-0.3 2,-0.5 -0.926 4.4-158.1-118.3 147.1 16.4 7.5 16.2 47 48 D V E -bd 8 72A 4 -40,-2.7 -38,-3.4 -2,-0.4 2,-0.7 -0.988 7.6-160.3-117.0 122.7 15.1 11.0 15.6 48 49 D F E -bd 9 73A 0 24,-3.0 26,-2.3 -2,-0.5 2,-0.6 -0.901 14.0-169.3 -98.6 113.4 16.8 12.8 12.7 49 50 D L E -bd 10 74A 55 -40,-2.6 -38,-3.3 -2,-0.7 2,-0.8 -0.892 17.0-149.3-110.5 115.4 16.2 16.5 13.2 50 51 D D E -b 11 0A 26 24,-2.5 -38,-0.2 -2,-0.6 -40,-0.1 -0.722 11.6-170.2 -77.8 111.5 16.9 19.1 10.5 51 52 D I 0 0 84 -40,-1.5 -1,-0.2 -2,-0.8 -39,-0.1 0.524 360.0 360.0 -83.3 -6.1 17.9 22.2 12.5 52 53 D T 0 0 116 -41,-0.5 -40,-0.1 23,-0.1 24,-0.1 0.671 360.0 360.0 -93.8 360.0 17.9 24.5 9.4 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 60 D K >> 0 0 163 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 -45.0 15.7 17.5 -0.8 55 61 D T H 3> + 0 0 56 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.758 360.0 61.3 -61.7 -24.5 18.9 16.4 1.0 56 62 D M H 3> S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.853 98.6 55.3 -65.6 -38.2 16.7 15.2 3.7 57 63 D L H <> S+ 0 0 17 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.862 107.5 48.8 -65.5 -37.8 15.1 12.8 1.2 58 64 D E H X S+ 0 0 64 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.888 110.5 51.7 -66.5 -39.8 18.5 11.3 0.3 59 65 D L H X S+ 0 0 5 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.949 109.3 48.8 -62.2 -50.0 19.3 10.9 4.1 60 66 D V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.876 109.1 55.2 -55.2 -40.2 16.1 9.0 4.7 61 67 D E H X S+ 0 0 80 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.969 112.9 39.4 -60.0 -56.0 16.8 6.8 1.7 62 68 D K H X S+ 0 0 100 -4,-2.2 4,-0.8 1,-0.2 3,-0.4 0.900 116.0 51.8 -60.9 -44.1 20.2 5.7 3.0 63 69 D V H >X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 3,-1.2 0.949 105.3 57.2 -58.2 -47.2 19.0 5.5 6.6 64 70 D A H 3< S+ 0 0 38 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 113.3 36.8 -55.4 -35.9 16.1 3.2 5.6 65 71 D E H 3< S+ 0 0 143 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.472 121.6 44.4 -99.8 -1.6 18.2 0.5 4.0 66 72 D Q H << S+ 0 0 93 -3,-1.2 2,-0.4 -4,-0.8 -2,-0.2 0.684 108.4 55.5-110.3 -26.3 21.1 0.6 6.5 67 73 D I < - 0 0 9 -4,-2.6 -1,-0.2 -5,-0.2 -31,-0.1 -0.904 54.8-166.2-119.3 136.0 19.3 0.8 9.8 68 74 D D + 0 0 154 -2,-0.4 -1,-0.1 -32,-0.1 -4,-0.1 0.136 62.7 85.7-110.8 18.2 16.7 -1.7 11.1 69 75 D I S S- 0 0 23 1,-0.1 -24,-0.1 0, 0.0 -2,-0.1 -0.837 91.0 -84.5-110.3 157.4 15.3 0.3 14.1 70 76 D P - 0 0 51 0, 0.0 -24,-1.9 0, 0.0 2,-0.3 -0.221 47.0-168.5 -53.9 144.2 12.4 2.8 13.8 71 77 D F E -d 46 0A 4 -26,-0.2 21,-1.5 19,-0.1 22,-1.5 -0.999 10.7-155.8-139.4 144.4 13.4 6.4 12.9 72 78 D T E -de 47 93A 5 -26,-2.7 -24,-3.0 -2,-0.3 2,-0.4 -0.859 7.8-151.7-109.5 145.7 11.5 9.7 12.9 73 79 D V E +de 48 94A 1 20,-1.9 22,-2.5 -2,-0.3 2,-0.3 -0.978 25.4 157.3-117.4 139.0 12.3 12.7 10.8 74 80 D G E +d 49 0A 3 -26,-2.3 -24,-2.5 -2,-0.4 22,-0.1 -0.872 18.1 100.0-145.9 176.7 11.5 16.3 11.9 75 81 D G S S- 0 0 32 20,-0.4 3,-0.1 -2,-0.3 -23,-0.1 0.662 95.1 -5.4 103.3 99.1 12.5 19.9 11.4 76 82 D G + 0 0 50 1,-0.2 2,-0.8 -25,-0.1 20,-0.1 0.841 69.8 161.1 57.9 40.8 10.4 22.2 9.2 77 83 D I + 0 0 10 18,-0.3 22,-0.4 1,-0.1 20,-0.3 -0.845 9.3 170.5 -85.2 110.5 7.9 19.8 7.7 78 84 D H + 0 0 136 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.504 48.5 23.3-105.2 -6.6 5.3 22.3 6.6 79 85 D D S > S- 0 0 72 1,-0.1 4,-1.8 27,-0.0 3,-0.2 -0.969 74.8-103.2-158.3 164.8 2.8 20.4 4.6 80 86 D F H > S+ 0 0 66 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.897 114.5 58.5 -59.7 -46.1 1.2 17.0 3.7 81 87 D E H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 107.8 46.4 -55.5 -39.0 3.3 16.6 0.5 82 88 D T H > S+ 0 0 44 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.916 114.1 46.8 -71.4 -42.7 6.6 16.8 2.4 83 89 D A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.926 111.7 52.3 -63.3 -44.2 5.4 14.4 5.1 84 90 D S H X S+ 0 0 28 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.922 110.1 47.9 -56.4 -45.4 4.1 12.0 2.4 85 91 D E H X S+ 0 0 76 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.852 110.9 50.8 -69.5 -35.5 7.4 12.0 0.5 86 92 D L H <>S+ 0 0 8 -4,-2.0 5,-2.3 2,-0.2 4,-0.3 0.914 112.7 45.8 -66.7 -42.8 9.4 11.4 3.7 87 93 D I H ><5S+ 0 0 24 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.885 111.4 51.5 -69.4 -39.9 7.3 8.4 4.7 88 94 D L H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 106.1 55.7 -67.5 -29.9 7.3 6.9 1.2 89 95 D R T 3<5S- 0 0 93 -4,-1.5 -1,-0.2 -5,-0.2 -25,-0.2 0.504 135.2 -79.1 -88.5 0.6 11.1 7.1 1.0 90 96 D G T < 5S+ 0 0 26 -3,-0.9 2,-0.2 -4,-0.3 -3,-0.2 0.402 79.8 139.4 129.4 -0.6 11.4 5.1 4.2 91 97 D A < - 0 0 5 -5,-2.3 -1,-0.3 1,-0.2 -19,-0.1 -0.513 39.0-153.5 -69.5 135.3 10.8 7.3 7.4 92 98 D D S S+ 0 0 84 -21,-1.5 2,-0.3 -2,-0.2 -20,-0.2 0.877 76.5 7.2 -75.1 -34.8 8.8 5.4 9.9 93 99 D K E -e 72 0A 17 -22,-1.5 -20,-1.9 -7,-0.1 2,-0.4 -0.954 62.3-145.5-144.3 153.3 7.4 8.6 11.5 94 100 D V E -ef 73 119A 0 24,-2.4 26,-2.9 -2,-0.3 2,-0.5 -0.969 13.9-145.4-120.6 143.9 7.4 12.3 10.8 95 101 D S E + f 0 120A 9 -22,-2.5 -20,-0.4 -2,-0.4 2,-0.3 -0.926 20.1 179.2-105.8 128.7 7.4 14.9 13.5 96 102 D I E + f 0 121A 4 24,-2.2 26,-2.2 -2,-0.5 -18,-0.1 -0.952 14.8 150.7-126.2 152.4 5.4 18.1 13.0 97 103 D N S >> S+ 0 0 30 -2,-0.3 4,-2.2 -20,-0.3 3,-0.8 0.316 72.9 31.6-138.4 -84.8 5.0 21.1 15.3 98 104 D T H 3> S+ 0 0 26 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.868 121.6 52.0 -52.6 -40.5 4.4 24.6 13.9 99 105 D A H 3> S+ 0 0 12 -22,-0.4 4,-1.2 1,-0.2 7,-0.3 0.808 109.0 51.2 -70.6 -27.3 2.6 23.2 10.9 100 106 D A H <4 S+ 0 0 0 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.900 109.6 49.1 -72.3 -42.2 0.3 21.2 13.2 101 107 D V H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.925 115.8 43.4 -61.6 -43.8 -0.6 24.3 15.3 102 108 D E H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 133.9 17.4 -79.9 -22.5 -1.4 26.3 12.3 103 109 D N >< + 0 0 73 -4,-1.2 3,-2.8 -5,-0.2 4,-0.4 -0.559 64.2 179.7-145.9 83.3 -3.3 23.5 10.5 104 110 D P T >> S+ 0 0 28 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.755 78.9 73.5 -57.4 -25.3 -4.4 20.8 12.9 105 111 D S H 3> S+ 0 0 43 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.726 81.2 72.2 -58.0 -24.6 -6.0 19.0 10.0 106 112 D L H <> S+ 0 0 4 -3,-2.8 4,-2.2 -7,-0.3 -1,-0.3 0.883 92.9 55.4 -57.4 -39.0 -2.5 18.1 8.9 107 113 D I H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.4 -1,-0.2 0.958 110.8 43.2 -55.8 -52.5 -2.3 15.7 11.8 108 114 D T H X S+ 0 0 35 -4,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.833 109.8 56.8 -65.0 -36.6 -5.4 13.9 10.6 109 115 D Q H X S+ 0 0 75 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.923 111.8 42.1 -63.6 -44.1 -4.4 13.9 6.9 110 116 D I H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.945 115.3 49.6 -68.2 -47.3 -1.1 12.1 7.7 111 117 D A H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.902 110.4 50.3 -60.4 -42.7 -2.8 9.7 10.1 112 118 D Q H < S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 118.6 38.3 -62.1 -34.9 -5.6 8.8 7.7 113 119 D T H < S+ 0 0 82 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.843 136.4 13.8 -88.7 -36.8 -3.1 8.1 4.9 114 120 D F H < S- 0 0 46 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.391 113.5 -93.7-122.2 0.7 -0.2 6.4 6.7 115 121 D G >< - 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0 0 8 -4,-0.8 -36,-0.1 -3,-0.7 4,-0.1 -0.945 51.8-155.5-138.8 154.9 -3.5 11.9 27.1 189 195 D T + 0 0 114 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.491 69.3 106.1-102.3 -10.8 -3.4 8.1 26.4 190 196 D L S S- 0 0 19 1,-0.1 2,-0.2 -29,-0.0 -29,-0.2 -0.240 85.8 -90.6 -66.9 155.9 -0.8 8.5 23.7 191 197 D P - 0 0 43 0, 0.0 -29,-2.2 0, 0.0 2,-0.5 -0.508 42.9-144.8 -64.7 134.2 2.9 7.6 24.3 192 198 D I E -j 162 0A 0 19,-0.3 21,-2.9 -2,-0.2 22,-1.8 -0.916 6.3-155.9-106.4 127.5 4.8 10.6 25.6 193 199 D I E -jk 163 214A 3 -31,-3.0 -29,-2.6 -2,-0.5 2,-0.3 -0.903 14.2-141.2-102.0 114.8 8.4 11.1 24.5 194 200 D A E -jk 164 215A 0 20,-2.9 22,-3.6 -2,-0.7 2,-0.4 -0.612 27.0-177.5 -74.7 133.5 10.4 13.2 27.1 195 201 D S E +jk 165 216A 16 -31,-1.7 -29,-1.6 -2,-0.3 -18,-0.2 -0.982 33.7 30.5-142.8 127.7 12.7 15.6 25.3 196 202 D G S S+ 0 0 11 20,-0.7 -19,-0.4 -2,-0.4 -26,-0.2 0.471 91.6 43.0 102.7 118.9 15.3 18.1 26.4 197 203 D G + 0 0 7 1,-0.3 -22,-2.2 -21,-0.1 -21,-0.1 0.126 56.7 152.5 114.5 -21.9 17.6 18.2 29.5 198 204 D A + 0 0 7 18,-0.3 22,-0.3 -24,-0.2 -1,-0.3 -0.132 4.6 151.7 -52.9 132.7 19.0 14.7 29.9 199 205 D G + 0 0 15 1,-0.5 2,-0.3 -26,-0.1 -1,-0.2 0.539 59.4 13.3-135.2 -30.9 22.3 14.9 31.7 200 206 D K S >> S- 0 0 105 1,-0.1 3,-1.3 26,-0.0 4,-0.8 -0.949 79.1 -97.6-150.4 168.6 22.8 11.7 33.6 201 207 D M H >> S+ 0 0 51 -2,-0.3 4,-1.3 1,-0.3 3,-1.1 0.865 118.8 61.1 -60.1 -35.4 21.3 8.2 34.0 202 208 D E H 3> S+ 0 0 63 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.818 95.9 62.4 -61.3 -29.8 19.2 9.3 37.0 203 209 D H H <> S+ 0 0 16 -3,-1.3 4,-1.9 1,-0.2 -27,-0.3 0.829 100.1 52.7 -64.5 -31.8 17.5 11.8 34.8 204 210 D F H S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-0.4 0.926 111.8 47.0 -61.8 -43.7 11.4 10.9 33.3 208 214 D F H ><5S+ 0 0 7 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.939 111.1 51.5 -64.7 -43.3 10.0 7.3 33.3 209 215 D L H 3<5S+ 0 0 114 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 103.8 58.2 -58.6 -35.7 8.7 7.7 36.8 210 216 D A T 3<5S- 0 0 5 -4,-2.0 -1,-0.3 -5,-0.2 -25,-0.2 0.591 130.5 -97.0 -69.9 -10.6 6.9 10.9 35.8 211 217 D G T < 5S+ 0 0 14 -3,-1.6 -19,-0.3 -4,-0.4 -3,-0.2 0.584 71.0 149.8 107.2 12.7 5.1 8.8 33.2 212 218 D A < - 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -19,-0.2 -0.449 35.0-155.5 -71.1 152.4 7.1 9.2 29.9 213 219 D D S S+ 0 0 43 -21,-2.9 -209,-1.8 1,-0.3 2,-0.3 0.642 79.3 17.0 -99.7 -20.3 7.0 6.2 27.6 214 220 D A E -ak 4 193A 0 -22,-1.8 -20,-2.9 -211,-0.2 2,-0.5 -0.978 66.3-145.3-145.3 154.7 10.3 7.2 25.9 215 221 D A E -ak 5 194A 0 -211,-2.2 -209,-2.8 -2,-0.3 2,-0.4 -0.989 14.9-161.3-126.4 121.4 13.1 9.5 26.7 216 222 D L E +ak 6 195A 8 -22,-3.6 -20,-0.7 -2,-0.5 -18,-0.3 -0.786 14.0 173.4 -97.9 140.2 14.9 11.3 23.9 217 223 D A E +a 7 0A 5 -211,-2.2 -209,-2.5 -2,-0.4 -18,-0.0 -0.996 21.4 168.2-145.0 151.1 18.3 12.8 24.3 218 224 D A S >> S+ 0 0 28 -2,-0.3 4,-2.9 -211,-0.2 3,-1.4 0.650 76.3 53.2-117.4 -60.3 20.9 14.4 22.1 219 225 D S H 3> S+ 0 0 29 1,-0.3 4,-3.5 2,-0.2 6,-0.3 0.860 108.0 48.6 -47.4 -52.3 23.7 16.0 24.2 220 226 D V H 34>S+ 0 0 0 -22,-0.3 6,-2.0 1,-0.2 5,-0.7 0.609 118.6 40.5 -72.9 -12.7 24.6 12.9 26.3 221 227 D F H <45S+ 0 0 6 -3,-1.4 3,-0.3 3,-0.2 -1,-0.2 0.724 118.4 46.5 -99.8 -32.6 24.9 10.7 23.3 222 228 D H H <5S+ 0 0 37 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.934 117.4 42.2 -70.5 -50.1 26.6 13.4 21.1 223 229 D F T <5S- 0 0 103 -4,-3.5 -1,-0.2 -5,-0.3 -3,-0.1 0.262 110.5-127.6 -81.6 11.9 29.1 14.3 23.9 224 230 D R T 5 + 0 0 132 -3,-0.3 -3,-0.2 -5,-0.1 -4,-0.1 0.731 64.8 137.6 51.9 32.2 29.4 10.6 24.6 225 231 D E < + 0 0 95 -5,-0.7 2,-0.5 -6,-0.3 -4,-0.2 0.790 56.9 50.4 -81.2 -29.5 28.7 11.1 28.3 226 232 D I S S- 0 0 20 -6,-2.0 2,-0.5 -26,-0.1 -1,-0.1 -0.943 73.4-137.3-119.2 127.1 26.3 8.1 28.8 227 233 D D > - 0 0 86 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.715 16.5-146.5 -76.0 121.2 26.9 4.4 27.9 228 234 D V H > S+ 0 0 3 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.899 97.8 47.9 -58.6 -44.7 23.6 3.2 26.4 229 235 D R H > S+ 0 0 162 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 112.1 49.8 -63.0 -43.0 24.0 -0.3 27.7 230 236 D E H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.880 109.9 52.4 -60.4 -40.9 25.0 1.0 31.2 231 237 D L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.941 109.6 47.7 -63.1 -48.1 21.9 3.2 31.1 232 238 D K H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.898 112.6 48.6 -60.1 -42.1 19.6 0.3 30.3 233 239 D E H X S+ 0 0 98 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.892 111.6 51.2 -64.6 -40.1 21.1 -1.9 33.0 234 240 D Y H X S+ 0 0 48 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.937 110.7 46.6 -60.3 -51.3 20.7 1.1 35.5 235 241 D L H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 -2,-0.2 0.908 114.2 49.0 -59.0 -42.5 17.0 1.6 34.6 236 242 D K H ><5S+ 0 0 135 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.940 107.5 53.7 -62.7 -49.4 16.4 -2.2 34.9 237 243 D K H 3<5S+ 0 0 158 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 110.2 50.8 -49.6 -36.7 18.2 -2.3 38.2 238 244 D H T 3<5S- 0 0 80 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 -0.006 126.8 -95.6-100.7 30.0 15.7 0.5 39.3 239 245 D G T < 5S+ 0 0 72 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.697 77.9 136.6 75.0 22.3 12.6 -1.2 38.2 240 246 D V < - 0 0 13 -5,-2.8 2,-0.9 -6,-0.1 -1,-0.2 -0.888 54.4-126.6-101.0 131.6 12.1 0.3 34.8 241 247 D N + 0 0 100 -2,-0.5 -238,-3.7 -240,-0.2 2,-0.2 -0.680 46.1 151.2 -79.7 107.9 11.0 -2.1 32.0 242 248 D V - 0 0 9 -2,-0.9 2,-0.5 -240,-0.3 -238,-0.1 -0.747 44.2-104.7-119.6 175.4 13.5 -1.7 29.1 243 249 D R 0 0 122 -240,-0.4 -11,-0.0 -2,-0.2 -7,-0.0 -0.902 360.0 360.0-108.2 133.4 14.6 -4.1 26.4 244 250 D L 0 0 112 -2,-0.5 -1,-0.1 -12,-0.0 -11,-0.0 0.481 360.0 360.0-126.0 360.0 18.0 -5.8 26.4