==== 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 HYDROLASE 03-FEB-05 1YR9 . COMPND 2 MOLECULE: ATP(GTP)BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR S.GRAS,P.CARPENTIER,J.ARMENGAUD,D.HOUSSET . 246 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 1 3 1 2 0 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 3 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 PARALLEL BRIDGES PER LADDER . 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 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 1 499 A A 0 0 89 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.8 21.3 29.7 17.0 2 500 A S - 0 0 12 123,-0.2 2,-0.3 94,-0.0 97,-0.2 -0.969 360.0 -70.8-171.5 171.2 18.8 27.0 16.0 3 1 A M E -a 99 0A 30 95,-1.7 97,-1.4 -2,-0.3 2,-0.4 -0.551 38.9-171.9 -84.1 133.9 18.0 23.3 16.4 4 2 A I E -a 100 0A 6 -2,-0.3 124,-2.2 122,-0.3 2,-0.5 -0.982 2.1-167.3-123.7 130.1 20.1 20.7 14.6 5 3 A V E -ab 101 128A 1 95,-2.3 97,-2.8 -2,-0.4 2,-0.6 -0.955 4.7-160.1-123.6 120.1 19.2 17.0 14.5 6 4 A V E -ab 102 129A 1 122,-2.5 124,-2.4 -2,-0.5 2,-0.9 -0.850 8.3-152.0 -99.1 119.7 21.6 14.3 13.3 7 5 A F E +ab 103 130A 0 95,-2.7 97,-1.2 -2,-0.6 2,-0.4 -0.820 19.4 175.5 -92.7 105.6 20.1 11.0 12.2 8 6 A V E + b 0 131A 0 122,-1.6 124,-2.8 -2,-0.9 2,-0.2 -0.890 15.6 138.5-105.5 143.5 22.5 8.1 12.8 9 7 A G - 0 0 1 -2,-0.4 6,-0.2 96,-0.3 4,-0.2 -0.720 49.3 -95.0 173.2 130.1 21.3 4.6 12.1 10 8 A T > - 0 0 58 122,-0.5 3,-2.1 -2,-0.2 5,-0.2 0.052 61.4 -62.8 -56.6 161.4 22.7 1.5 10.5 11 9 A A T 3 S+ 0 0 54 95,-0.5 -1,-0.1 1,-0.3 96,-0.0 -0.051 121.5 10.3 -45.8 134.6 22.1 0.4 6.9 12 10 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.464 85.8 121.9 74.9 2.4 18.5 -0.3 6.0 13 11 A S S < S- 0 0 2 -3,-2.1 -2,-0.1 -4,-0.2 -1,-0.1 0.549 80.3-122.0 -70.6 -5.7 17.2 1.1 9.3 14 12 A G > + 0 0 28 -4,-0.2 4,-0.7 -5,-0.1 212,-0.2 0.971 66.2 139.6 61.5 56.6 15.2 3.5 7.0 15 13 A K H > + 0 0 12 -6,-0.2 4,-4.2 2,-0.2 5,-0.2 0.840 61.8 61.3 -94.0 -43.9 16.6 6.7 8.5 16 14 A T H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.943 108.1 46.1 -46.0 -54.8 16.9 8.7 5.2 17 15 A T H >> S+ 0 0 68 1,-0.2 4,-4.1 2,-0.2 3,-0.7 0.970 113.7 47.7 -51.6 -56.9 13.2 8.4 4.7 18 16 A L H 3X S+ 0 0 0 -4,-0.7 4,-3.0 1,-0.3 5,-0.3 0.916 108.5 57.0 -49.0 -45.7 12.6 9.4 8.3 19 17 A T H 3X S+ 0 0 0 -4,-4.2 4,-0.9 1,-0.2 -1,-0.3 0.833 116.9 34.2 -54.6 -39.5 15.0 12.3 7.7 20 18 A G H X S+ 0 0 0 -4,-0.9 4,-1.1 -5,-0.3 3,-0.6 0.882 105.7 52.2 -59.5 -45.8 11.3 17.6 7.8 24 22 A R H 3< S+ 0 0 78 -4,-2.1 3,-0.3 1,-0.3 4,-0.3 0.893 109.9 50.6 -64.0 -37.2 8.2 17.9 5.5 25 23 A Y H 3< S+ 0 0 43 -4,-1.1 -1,-0.3 -5,-0.2 3,-0.2 0.724 113.5 47.1 -63.8 -25.2 6.1 17.6 8.6 26 24 A L H XX S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.6 3,-0.5 0.551 96.2 71.2 -93.7 -11.1 8.3 20.3 10.1 27 25 A E T 3< S+ 0 0 95 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.555 85.2 72.2 -81.3 -7.8 8.1 22.5 7.0 28 26 A D T 34 S+ 0 0 114 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.840 122.5 4.0 -71.9 -35.4 4.5 23.1 8.1 29 27 A N T <4 S+ 0 0 122 -3,-0.5 2,-0.3 -4,-0.2 -2,-0.2 0.484 127.6 51.6-128.2 -10.6 5.5 25.4 11.0 30 28 A Y S < S- 0 0 73 -4,-2.3 2,-0.6 -7,-0.2 -1,-0.1 -0.938 78.1-113.0-131.3 151.4 9.3 25.7 10.8 31 29 A K - 0 0 130 -2,-0.3 67,-2.8 -3,-0.1 68,-1.6 -0.774 43.7-159.6 -82.5 124.5 11.9 26.6 8.2 32 30 A V E -c 99 0A 17 -2,-0.6 68,-0.2 65,-0.2 2,-0.2 -0.892 17.2-165.7-118.6 128.9 14.0 23.4 7.5 33 31 A A E -c 100 0A 2 66,-1.8 68,-1.3 -2,-0.4 2,-0.2 -0.494 12.3-148.7 -94.4 176.1 17.4 22.7 6.0 34 32 A Y E -c 101 0A 11 66,-0.2 15,-1.3 -2,-0.2 16,-1.1 -0.676 10.7-173.4-152.4 91.5 18.6 19.2 4.8 35 33 A V E -cd 102 50A 0 66,-2.0 68,-3.6 -2,-0.2 2,-0.6 -0.761 5.1-165.4 -91.5 122.7 22.2 18.1 5.0 36 34 A N E +cd 103 51A 0 14,-3.2 16,-1.7 -2,-0.6 17,-0.2 -0.917 14.8 172.5-105.1 115.4 23.1 14.8 3.4 37 35 A L + 0 0 5 66,-2.8 2,-0.6 -2,-0.6 67,-0.2 0.283 46.2 111.7 -97.2 8.0 26.5 13.4 4.4 38 36 A D > - 0 0 20 65,-0.5 3,-0.5 66,-0.2 15,-0.3 -0.750 45.2-171.7 -92.7 118.2 25.9 10.1 2.6 39 37 A T T 3 S+ 0 0 0 -2,-0.6 19,-2.8 1,-0.2 20,-0.3 0.353 76.6 51.8 -86.3 5.4 28.1 9.6 -0.4 40 38 A G T 3 S+ 0 0 30 17,-0.2 2,-0.2 18,-0.1 -1,-0.2 0.218 74.9 113.7-131.6 20.3 26.4 6.4 -1.7 41 39 A V < - 0 0 25 -3,-0.5 3,-0.1 1,-0.1 17,-0.0 -0.648 49.8-146.1-107.1 153.3 22.7 6.8 -2.0 42 40 A K S S- 0 0 194 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.979 74.7 -5.7 -79.1 -63.5 20.4 6.7 -5.1 43 41 A E - 0 0 154 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.622 59.0-141.9-122.4-176.3 17.5 9.1 -4.4 44 42 A L - 0 0 23 -2,-0.2 -27,-0.1 -3,-0.1 -8,-0.0 -0.956 18.1-136.8-150.8 129.9 16.4 11.2 -1.4 45 43 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -28,-0.0 0.569 91.2 51.6 -63.9 0.2 12.8 11.9 -0.4 46 44 A Y S S- 0 0 18 -23,-0.0 -26,-0.1 -12,-0.0 -2,-0.0 -0.843 86.0-109.6-137.6 166.1 14.1 15.5 0.1 47 45 A E - 0 0 169 -2,-0.3 2,-0.1 -27,-0.1 3,-0.1 -0.852 40.0-140.5 -98.2 109.9 15.9 18.4 -1.5 48 46 A P - 0 0 36 0, 0.0 -13,-0.2 0, 0.0 3,-0.2 -0.452 17.7-161.2 -74.9 140.6 19.2 18.7 0.2 49 47 A S S S+ 0 0 63 -15,-1.3 2,-0.4 1,-0.3 -14,-0.2 0.900 93.2 31.2 -71.9 -46.3 20.5 22.2 1.0 50 48 A I E S+d 35 0A 7 -16,-1.1 -14,-3.2 -3,-0.1 2,-0.4 -0.927 71.4 178.7-115.2 131.1 23.8 20.3 1.3 51 49 A D E -d 36 0A 17 -2,-0.4 4,-0.3 -16,-0.2 3,-0.2 -0.978 22.1-158.8-132.8 124.6 24.9 17.2 -0.6 52 50 A V S >> S+ 0 0 0 -16,-1.7 4,-2.1 -2,-0.4 3,-1.1 0.723 90.6 69.9 -70.5 -20.8 28.2 15.3 -0.4 53 51 A R T 34 S+ 0 0 53 -15,-0.3 -1,-0.2 1,-0.3 -14,-0.1 0.962 81.8 69.3 -62.8 -52.1 27.6 13.7 -3.8 54 52 A E T 34 S+ 0 0 184 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.713 112.3 35.9 -34.7 -27.1 28.1 17.0 -5.6 55 53 A F T <4 S- 0 0 74 -3,-1.1 2,-0.3 1,-0.3 -1,-0.3 0.837 136.5 -8.4 -92.9 -44.1 31.7 16.6 -4.5 56 54 A V < - 0 0 11 -4,-2.1 2,-0.4 4,-0.0 -1,-0.3 -0.956 52.3-155.7-165.3 132.5 32.0 12.8 -4.8 57 55 A T >> - 0 0 43 -2,-0.3 3,-1.6 1,-0.1 4,-1.4 -0.931 22.3-138.0-115.0 133.7 29.9 9.7 -5.4 58 56 A V H 3> S+ 0 0 14 -19,-2.8 4,-1.2 -2,-0.4 -1,-0.1 0.935 109.4 64.5 -48.9 -47.5 30.8 6.1 -4.2 59 57 A E H 3> S+ 0 0 86 -20,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.812 103.7 48.2 -43.2 -38.1 29.6 5.1 -7.7 60 58 A E H <> S+ 0 0 63 -3,-1.6 4,-0.6 2,-0.2 5,-0.3 0.994 102.9 54.5 -68.4 -73.7 32.5 7.2 -9.0 61 59 A I H X S+ 0 0 0 -4,-1.4 4,-0.8 1,-0.2 5,-0.4 0.663 110.5 56.7 -37.1 -14.8 35.4 5.9 -6.9 62 60 A M H >< S+ 0 0 73 -4,-1.2 3,-1.5 -5,-0.3 -1,-0.2 0.945 99.6 50.7 -78.0 -67.7 34.0 2.6 -8.4 63 61 A R H 3< S+ 0 0 175 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.332 113.2 54.3 -56.5 15.3 34.4 3.4 -12.1 64 62 A E H 3< S- 0 0 107 -4,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.651 127.3 -85.8-116.3 -34.6 37.9 4.3 -11.0 65 63 A G S << S+ 0 0 61 -3,-1.5 -3,-0.1 -4,-0.8 6,-0.1 -0.188 85.8 103.3 165.6 -64.4 39.0 1.1 -9.3 66 64 A Y - 0 0 109 -5,-0.4 -1,-0.4 4,-0.1 -2,-0.2 0.114 58.4-129.7 -43.8 157.6 38.1 0.6 -5.6 67 65 A G > - 0 0 37 4,-0.0 4,-3.0 0, 0.0 3,-0.3 -0.461 43.2 -71.9 -97.3-178.7 35.3 -1.7 -4.5 68 66 A P H > S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.880 129.0 38.3 -38.0 -74.3 32.5 -0.8 -2.0 69 67 A N H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.825 120.5 48.5 -54.6 -33.4 34.3 -0.7 1.3 70 68 A G H > S+ 0 0 29 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.845 109.4 51.4 -77.8 -35.3 37.3 0.9 -0.3 71 69 A A H >X S+ 0 0 0 -4,-3.0 4,-2.6 -3,-0.4 3,-0.7 0.970 107.5 52.9 -62.6 -56.1 35.3 3.6 -2.1 72 70 A I H 3X S+ 0 0 28 -4,-2.3 4,-1.7 1,-0.3 5,-0.2 0.923 109.5 48.4 -41.6 -58.5 33.5 4.6 1.0 73 71 A V H 3X S+ 0 0 59 -4,-1.5 4,-0.6 1,-0.2 -1,-0.3 0.790 111.6 50.2 -59.4 -30.0 36.7 5.1 2.9 74 72 A E H < S+ 0 0 0 -4,-0.9 3,-0.6 -5,-0.2 -2,-0.2 0.856 90.1 69.4 -82.4 -39.0 35.9 15.0 2.3 80 78 A M T 3< S+ 0 0 40 -4,-1.1 -1,-0.2 1,-0.2 4,-0.2 0.349 102.4 54.5 -60.0 12.7 38.3 15.7 5.2 81 79 A E T 34 S+ 0 0 152 -3,-0.4 -1,-0.2 2,-0.1 3,-0.2 0.699 107.7 40.3-116.9 -42.9 39.8 18.0 2.6 82 80 A K S + 0 0 6 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.978 65.9 44.7 -67.3 -67.5 36.1 19.9 5.3 84 82 A N H > S+ 0 0 107 2,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.826 120.7 46.5 -56.0 -30.9 36.5 23.4 6.8 85 83 A E H > S+ 0 0 93 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.984 112.4 47.4 -62.8 -70.6 34.5 24.6 3.8 86 84 A Y H < S+ 0 0 17 -4,-3.3 4,-0.3 2,-0.2 -2,-0.2 0.751 111.5 54.9 -46.0 -34.4 31.8 21.9 4.2 87 85 A L H >X S+ 0 0 10 -4,-3.6 3,-5.7 2,-0.2 4,-0.8 0.984 107.1 44.3 -57.0 -83.8 31.6 22.7 7.9 88 86 A N H >X S+ 0 0 75 -4,-1.2 4,-2.6 1,-0.3 3,-0.5 0.774 102.6 71.5 -29.2 -40.4 30.9 26.4 7.6 89 87 A K H 3< S+ 0 0 41 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.745 100.7 44.6 -52.7 -23.6 28.5 25.4 4.9 90 88 A I H <4 S+ 0 0 2 -3,-5.7 4,-0.4 -4,-0.3 3,-0.3 0.713 110.3 53.1 -95.7 -25.6 26.3 24.0 7.8 91 89 A L H XX S+ 0 0 39 -4,-0.8 3,-1.9 -3,-0.5 4,-1.2 0.939 102.7 55.3 -73.6 -49.2 26.7 27.0 10.1 92 90 A R T 3< S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.550 108.6 54.7 -58.4 -2.5 25.6 29.5 7.5 93 91 A L T >4 S+ 0 0 23 -5,-0.3 3,-0.8 -3,-0.3 -1,-0.3 0.598 96.1 66.2-102.5 -22.0 22.6 27.2 7.4 94 92 A E G X4 S+ 0 0 3 -3,-1.9 3,-1.7 -4,-0.4 2,-0.5 0.981 100.2 46.5 -59.6 -61.0 22.0 27.4 11.1 95 93 A K G 3< S+ 0 0 148 -4,-1.2 -1,-0.2 1,-0.3 3,-0.1 -0.069 113.2 48.0 -87.2 34.4 21.0 31.1 11.2 96 94 A E G < S+ 0 0 127 -3,-0.8 2,-0.3 -2,-0.5 -1,-0.3 0.113 109.7 57.1-144.4 19.9 18.6 30.9 8.3 97 95 A N < - 0 0 25 -3,-1.7 -65,-0.2 1,-0.1 -1,-0.2 -0.993 60.9-148.0-152.0 149.3 16.7 27.9 9.4 98 96 A D S S+ 0 0 63 -67,-2.8 -95,-1.7 -2,-0.3 2,-0.3 0.937 91.5 18.5 -84.6 -56.6 14.7 26.6 12.4 99 97 A Y E -ac 3 32A 3 -68,-1.6 -66,-1.8 -97,-0.2 2,-0.4 -0.871 67.5-161.3-107.5 150.0 15.5 22.9 12.3 100 98 A V E -ac 4 33A 0 -97,-1.4 -95,-2.3 -2,-0.3 2,-0.7 -0.911 8.4-155.2-134.2 112.4 18.5 21.5 10.4 101 99 A L E -ac 5 34A 0 -68,-1.3 -66,-2.0 -2,-0.4 2,-0.5 -0.746 6.0-161.2 -96.3 114.1 18.3 17.8 9.6 102 100 A I E -ac 6 35A 1 -97,-2.8 -95,-2.7 -2,-0.7 2,-0.8 -0.805 3.3-155.9 -99.1 130.4 21.6 16.1 9.1 103 101 A D E -ac 7 36A 0 -68,-3.6 -66,-2.8 -2,-0.5 -65,-0.5 -0.823 12.0-157.1-112.9 96.0 21.7 12.8 7.3 104 102 A T - 0 0 0 -97,-1.2 -66,-0.2 -2,-0.8 4,-0.1 -0.293 32.3 -81.3 -72.7 154.0 24.7 10.7 8.1 105 103 A P - 0 0 2 0, 0.0 -96,-0.3 0, 0.0 6,-0.2 -0.067 33.4-118.0 -55.0 151.1 26.1 7.9 5.9 106 104 A G S S+ 0 0 13 1,-0.2 2,-2.5 -3,-0.1 -95,-0.5 0.919 107.6 72.9 -58.0 -48.2 24.5 4.4 5.8 107 105 A Q S >> S- 0 0 82 1,-0.2 3,-1.9 -97,-0.2 4,-1.2 -0.527 74.5-168.7 -68.6 83.1 27.8 2.9 7.0 108 106 A M H 3> S+ 0 0 22 -2,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.792 83.8 57.6 -36.8 -39.8 27.2 4.3 10.5 109 107 A E H 3> S+ 0 0 112 2,-0.2 4,-4.1 1,-0.2 5,-0.4 0.774 95.7 63.3 -76.6 -27.0 30.8 3.4 11.3 110 108 A T H <> S+ 0 0 6 -3,-1.9 4,-1.8 2,-0.2 7,-0.3 0.990 112.0 36.0 -49.9 -62.3 32.0 5.5 8.4 111 109 A F H < S+ 0 0 2 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.731 124.3 47.1 -63.2 -20.9 30.6 8.5 10.2 112 110 A L H < S+ 0 0 5 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.788 117.3 34.7 -98.9 -32.5 31.6 7.0 13.5 113 111 A F H < S+ 0 0 139 -4,-4.1 2,-0.5 -3,-0.1 -3,-0.2 0.669 104.6 71.9 -98.6 -18.1 35.2 5.8 12.9 114 112 A H S >X S- 0 0 67 -4,-1.8 3,-2.6 -5,-0.4 4,-0.6 -0.887 82.3-120.9-115.7 126.1 36.6 8.5 10.6 115 113 A E H 3>>S+ 0 0 119 -2,-0.5 4,-2.5 1,-0.3 5,-0.5 0.618 103.5 74.5 -29.2 -36.7 37.4 12.1 11.6 116 114 A F H 3>5S+ 0 0 4 1,-0.2 4,-1.3 -40,-0.2 -1,-0.3 0.902 106.0 34.7 -49.3 -44.3 35.0 13.6 9.1 117 115 A G H <>5S+ 0 0 1 -3,-2.6 4,-1.2 -7,-0.3 -1,-0.2 0.921 119.9 47.1 -79.3 -47.3 32.1 12.6 11.3 118 116 A V H >X5S+ 0 0 18 -4,-0.6 4,-1.3 2,-0.2 3,-0.7 0.974 115.2 44.8 -58.3 -59.2 33.6 13.1 14.7 119 117 A R H >X5S+ 0 0 112 -4,-2.5 4,-1.9 1,-0.3 3,-1.1 0.939 108.9 54.7 -51.1 -58.0 35.1 16.5 14.0 120 118 A L H 3< - 0 0 42 -2,-0.4 3,-0.8 32,-0.2 4,-0.2 -0.786 16.2-143.0 -87.6 119.8 15.4 -1.3 13.3 135 133 A P G > S+ 0 0 12 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.615 86.6 84.5 -63.7 -12.8 13.0 -3.3 15.6 136 134 A E G 3 S+ 0 0 150 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 0.177 87.1 53.9 -78.6 20.2 13.6 -6.5 13.7 137 135 A I G < S+ 0 0 62 -3,-0.8 2,-1.5 1,-0.1 3,-0.4 0.427 80.8 95.6-121.1 -10.6 16.7 -7.2 15.8 138 136 A L < + 0 0 12 -3,-1.1 -1,-0.1 -4,-0.2 42,-0.1 -0.674 45.3 119.2 -80.3 90.5 15.1 -6.9 19.1 139 137 A K + 0 0 144 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.0 0.673 67.7 29.8-116.7 -46.2 14.3 -10.6 19.8 140 138 A K S > S- 0 0 116 -3,-0.4 4,-0.8 1,-0.1 3,-0.4 -0.840 87.3 -98.4-120.9 160.8 16.2 -11.6 23.0 141 139 A P H >> S+ 0 0 14 0, 0.0 3,-1.7 0, 0.0 4,-1.5 0.823 117.0 54.9 -42.4 -59.2 17.3 -9.7 26.2 142 140 A N H 3> S+ 0 0 29 1,-0.3 4,-4.0 2,-0.2 3,-0.4 0.914 99.0 63.1 -39.4 -62.7 20.9 -8.9 25.2 143 141 A D H 3> S+ 0 0 28 -3,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.777 103.5 49.5 -31.0 -44.1 19.8 -7.3 21.9 144 142 A Y H S+ 0 0 50 -4,-2.4 4,-1.1 2,-0.2 5,-0.8 0.922 116.1 43.1 -34.3 -60.3 26.8 9.6 22.7 156 154 A L H ><5S+ 0 0 137 -4,-3.4 3,-0.7 2,-0.2 -2,-0.2 0.984 118.0 42.3 -55.2 -66.0 30.4 8.9 24.0 157 155 A R H 3<5S+ 0 0 120 -4,-3.7 -2,-0.2 1,-0.2 -3,-0.2 0.953 126.8 31.6 -44.1 -64.7 32.1 8.7 20.6 158 156 A L H 3<5S- 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.466 99.9-134.2 -81.3 -4.1 30.3 11.7 19.0 159 157 A G T <<5 + 0 0 51 -4,-1.1 2,-0.2 -3,-0.7 -3,-0.2 0.951 63.6 112.0 43.7 81.7 29.9 13.6 22.2 160 158 A A S > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 3,-1.5 0.808 120.2 62.3 -68.7 -29.7 1.6 -6.1 22.8 176 174 A E H 3> S+ 0 0 68 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.917 99.0 54.7 -56.8 -45.2 4.8 -6.4 20.8 177 175 A K H 34 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.157 116.8 38.5 -75.8 20.2 5.0 -2.6 20.7 178 176 A E H <> S+ 0 0 102 -3,-1.5 4,-1.3 3,-0.1 -2,-0.2 0.373 105.7 62.8-143.9 -25.9 4.8 -2.7 24.5 179 177 A R H >X S+ 0 0 130 -4,-2.2 4,-2.0 2,-0.2 3,-0.5 0.939 104.5 51.8 -63.4 -50.3 6.9 -5.8 25.0 180 178 A H H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.860 108.3 51.0 -50.1 -41.1 9.6 -3.6 23.5 181 179 A R H 34>S+ 0 0 85 1,-0.2 5,-1.5 -5,-0.2 3,-0.9 0.784 101.5 60.3 -72.9 -28.6 8.7 -0.9 26.0 182 180 A K H <<5S+ 0 0 120 -4,-1.3 2,-1.2 -3,-0.5 8,-0.3 0.946 107.3 47.5 -62.1 -46.4 9.0 -3.4 28.9 183 181 A Y T <5S+ 0 0 14 -4,-2.0 -1,-0.3 6,-0.1 4,-0.1 -0.446 127.0 24.2 -86.5 58.7 12.6 -3.8 27.8 184 182 A F T 5S+ 0 0 5 -2,-1.2 -3,-0.2 2,-1.0 -2,-0.1 -0.331 116.9 40.4-172.1 -95.4 13.2 -0.0 27.5 185 183 A E T 5S+ 0 0 46 -4,-0.2 2,-0.7 1,-0.1 -3,-0.1 0.909 119.4 58.9 -36.3 -51.4 11.3 2.7 29.4 186 184 A D S + 0 0 36 -2,-0.7 4,-0.7 -4,-0.1 -1,-0.1 0.512 70.0 63.6 -98.3 -7.4 15.3 -0.3 32.5 188 186 A D H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.1 -1,-0.1 0.868 96.1 51.8 -86.9 -41.3 15.0 -2.6 35.5 189 187 A Y H > S+ 0 0 96 -7,-0.3 4,-2.2 1,-0.2 5,-0.2 0.794 103.2 60.5 -71.2 -27.6 13.2 -5.6 34.0 190 188 A L H > S+ 0 0 6 -4,-0.4 4,-1.3 -8,-0.3 -1,-0.2 0.934 109.8 41.8 -59.5 -45.5 15.7 -5.8 31.2 191 189 A T H X S+ 0 0 18 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.870 109.3 62.0 -70.1 -34.7 18.4 -6.4 33.8 192 190 A A H < S+ 0 0 37 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.914 107.2 41.0 -56.2 -47.7 16.0 -8.7 35.6 193 191 A R H X S+ 0 0 99 -4,-2.2 4,-0.8 1,-0.2 3,-0.4 0.752 109.2 60.9 -75.8 -23.6 15.7 -11.2 32.7 194 192 A L H >< S+ 0 0 0 -4,-1.3 3,-0.7 1,-0.2 12,-0.3 0.873 97.4 57.9 -68.9 -36.3 19.5 -10.9 32.0 195 193 A K T 3< S+ 0 0 147 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.727 101.1 59.8 -62.4 -21.9 20.2 -12.2 35.5 196 194 A L T 34 S+ 0 0 117 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.820 81.7 91.2 -76.7 -32.2 18.2 -15.3 34.4 197 195 A D << - 0 0 53 -4,-0.8 9,-0.1 -3,-0.7 -1,-0.0 -0.538 59.4-167.3 -71.0 107.0 20.5 -16.1 31.5 198 196 A P + 0 0 128 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.376 51.8 109.9 -78.6 6.4 23.0 -18.5 33.0 199 197 A S S > S- 0 0 64 1,-0.1 4,-1.9 4,-0.0 -2,-0.0 -0.500 84.8-106.6 -87.8 154.7 25.3 -18.2 30.0 200 198 A M H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.862 121.7 46.0 -39.2 -54.9 28.6 -16.4 29.8 201 199 A Q H >> S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 3,-1.0 0.989 104.6 58.5 -52.8 -66.9 27.1 -13.6 27.8 202 200 A G H 3> S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.776 103.3 60.2 -32.7 -35.9 24.1 -13.2 30.1 203 201 A L H 3X S+ 0 0 71 -4,-1.9 4,-3.0 -3,-0.4 -1,-0.3 0.973 115.1 27.6 -61.0 -57.1 26.9 -12.7 32.7 204 202 A M H + 0 0 25 -23,-0.1 4,-2.1 3,-0.0 5,-0.3 0.459 56.4 125.4 89.6 12.4 23.5 -1.6 35.9 211 209 A M T 4 S+ 0 0 26 3,-0.2 -2,-0.1 2,-0.2 -3,-0.1 0.407 85.7 36.7 -74.2 -4.3 24.9 1.1 33.6 212 210 A M T 4 S+ 0 0 63 -25,-0.1 4,-0.3 2,-0.1 -1,-0.1 0.695 110.0 56.8-110.3 -51.0 22.0 2.8 35.5 213 211 A T T 4 S+ 0 0 109 2,-0.1 -2,-0.2 3,-0.1 3,-0.1 0.948 122.2 33.1 -45.6 -54.6 22.3 1.2 38.9 214 212 A E S < S- 0 0 138 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.869 133.1 -49.9 -59.6-101.6 25.8 2.5 38.8 215 213 A V S S+ 0 0 110 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.991 83.3 92.5-151.5 136.8 25.5 5.8 36.9 216 214 A L S S- 0 0 88 -2,-0.3 -1,-0.1 -4,-0.3 -3,-0.1 0.402 72.1 -99.8 146.8 80.1 24.1 7.3 33.6 217 215 A P - 0 0 100 0, 0.0 -2,-0.1 0, 0.0 -5,-0.0 0.410 39.2-106.7 -22.4 132.9 20.6 8.8 33.6 218 216 A P - 0 0 75 0, 0.0 -32,-0.0 0, 0.0 0, 0.0 0.707 43.8-156.3 -30.0 -67.2 17.8 6.5 32.2 219 217 A V - 0 0 65 -56,-0.0 2,-0.5 2,-0.0 -56,-0.1 0.321 16.4-102.7 83.9 142.6 17.1 8.1 28.8 220 218 A R - 0 0 169 -56,-0.0 2,-0.4 -55,-0.0 -1,-0.0 -0.862 24.3-135.3-106.1 130.2 13.8 7.8 26.9 221 219 A V - 0 0 4 -2,-0.5 2,-0.5 -58,-0.1 -56,-0.2 -0.660 19.0-140.1 -83.1 128.9 13.4 5.5 23.8 222 220 A L E -f 165 0A 12 -58,-2.6 -56,-2.9 -2,-0.4 2,-0.6 -0.748 5.1-154.3 -92.8 131.6 11.5 7.0 20.8 223 221 A Y E +f 166 0A 25 -2,-0.5 2,-0.3 -58,-0.2 -56,-0.2 -0.915 27.3 175.9-100.8 118.8 9.1 5.0 18.8 224 222 A L - 0 0 0 -58,-1.9 -55,-1.6 -2,-0.6 2,-0.3 -0.918 25.5-170.6-128.8 148.7 8.9 6.5 15.3 225 223 A S B > -G 230 0B 0 5,-1.0 5,-0.9 -2,-0.3 4,-0.4 -0.817 9.9-160.9-140.3 101.6 7.3 5.7 11.9 226 224 A A T > 5S+ 0 0 11 -2,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.895 93.9 44.1 -41.1 -59.2 8.4 7.7 8.8 227 225 A K T 3 5S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.959 121.9 33.9 -50.3 -63.3 5.2 6.8 6.9 228 226 A T T 3 5S- 0 0 69 1,-0.1 -1,-0.2 2,-0.0 -2,-0.2 -0.045 101.8-119.7 -97.0 31.9 2.5 7.4 9.7 229 227 A R T X 5 + 0 0 82 -3,-0.9 3,-1.0 -4,-0.4 4,-0.4 0.692 47.6 176.6 38.8 35.1 4.2 10.3 11.6 230 228 A E B 3 < -G 225 0B 73 -5,-0.9 -5,-1.0 1,-0.2 -1,-0.2 -0.501 65.7 -7.2 -70.9 128.0 4.4 8.3 14.8 231 229 A G T 3> S+ 0 0 3 -2,-0.3 4,-1.7 -7,-0.2 -1,-0.2 0.584 92.5 129.8 65.3 9.3 6.1 10.1 17.7 232 230 A F H <> + 0 0 1 -3,-1.0 4,-1.4 1,-0.2 -2,-0.1 0.906 68.6 54.8 -57.4 -44.9 7.2 12.9 15.4 233 231 A E H > S+ 0 0 84 -4,-0.4 4,-1.5 1,-0.2 3,-0.3 0.918 104.0 54.1 -55.1 -48.9 5.8 15.4 17.9 234 232 A D H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 5,-0.4 0.887 98.1 62.2 -58.1 -43.8 8.0 14.1 20.7 235 233 A L H X S+ 0 0 1 -4,-1.7 4,-3.5 1,-0.2 -1,-0.2 0.940 104.2 51.6 -43.8 -54.4 11.1 14.4 18.6 236 234 A E H X S+ 0 0 32 -4,-1.4 4,-3.5 -3,-0.3 5,-0.2 0.899 108.6 48.7 -45.2 -57.1 10.3 18.2 18.6 237 235 A T H X S+ 0 0 54 -4,-1.5 4,-3.4 2,-0.2 5,-0.4 0.981 114.5 44.1 -50.6 -75.2 9.9 18.4 22.4 238 236 A L H X S+ 0 0 36 -4,-1.7 4,-3.1 1,-0.3 5,-0.4 0.857 112.7 55.0 -29.6 -55.8 13.2 16.6 23.1 239 237 A A H X S+ 0 0 3 -4,-3.5 4,-2.9 -5,-0.4 -1,-0.3 0.960 116.8 35.1 -46.7 -59.6 14.7 18.8 20.4 240 238 A Y H X S+ 0 0 140 -4,-3.5 4,-3.4 -3,-0.4 -2,-0.2 0.962 116.8 53.7 -59.3 -53.0 13.5 21.9 22.2 241 239 A E H X S+ 0 0 112 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.793 115.4 40.7 -56.9 -33.1 14.1 20.5 25.7 242 240 A H H X S+ 0 0 25 -4,-3.1 4,-2.4 -5,-0.4 -1,-0.2 0.905 112.0 54.7 -77.8 -47.3 17.6 19.6 24.8 243 241 A Y H < S+ 0 0 89 -4,-2.9 -2,-0.2 -5,-0.4 -3,-0.2 0.858 113.9 44.8 -54.0 -37.5 18.2 22.8 22.9 244 242 A C H < S+ 0 0 66 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.994 107.2 54.2 -66.5 -69.7 17.1 24.5 26.1 245 243 A T H < 0 0 131 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.811 360.0 360.0 -30.8 -47.1 19.1 22.5 28.6 246 244 A C < 0 0 53 -4,-2.4 -1,-0.2 -120,-0.1 -4,-0.0 -0.907 360.0 360.0-131.3 360.0 22.2 23.4 26.6