==== 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 20-JUN-05 2CWD . COMPND 2 MOLECULE: LOW MOLECULAR WEIGHT PHOSPHOTYROSINE PROTEIN PHOS . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.K.LOKANATH,Y.TERAO,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/P . 599 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 12.7 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 . 0 0.0 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 . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 4 0 1 0 7 0 0 0 0 0 4 0 0 0 0 1 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 4 0 0 4 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 4 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 2 A D 0 0 219 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.0 93.1 10.0 -13.6 2 3 A R - 0 0 112 1,-0.2 3,-0.1 3,-0.0 34,-0.0 -0.103 360.0 -71.7 -66.9 168.2 91.0 7.5 -11.6 3 4 A P - 0 0 43 0, 0.0 34,-0.2 0, 0.0 2,-0.2 -0.312 55.2-104.4 -63.5 144.5 88.4 8.6 -9.0 4 5 A V E -a 37 0A 46 32,-2.2 34,-2.4 -3,-0.1 2,-0.5 -0.517 33.1-140.0 -71.9 133.3 89.7 10.1 -5.8 5 6 A R E -a 38 0A 67 -2,-0.2 80,-2.4 32,-0.2 79,-1.3 -0.854 17.1-170.3-104.3 126.5 89.5 7.7 -2.8 6 7 A V E -ab 39 85A 0 32,-3.0 34,-1.6 -2,-0.5 2,-0.5 -0.947 4.1-173.4-119.2 130.8 88.4 9.0 0.6 7 8 A L E -ab 40 86A 0 78,-3.1 80,-2.1 -2,-0.4 2,-0.4 -0.973 10.6-153.9-126.7 119.6 88.6 7.1 3.9 8 9 A F E -ab 41 87A 0 32,-2.2 34,-2.5 -2,-0.5 2,-0.4 -0.739 17.9-165.5 -90.8 137.4 87.2 8.3 7.2 9 10 A V E +ab 42 88A 0 78,-2.4 80,-1.6 -2,-0.4 2,-0.2 -0.977 20.9 149.1-133.4 130.5 88.9 7.0 10.3 10 11 A C E -a 43 0A 3 32,-1.4 34,-1.7 -2,-0.4 35,-0.3 -0.685 56.2 -88.4-134.9-169.5 88.0 6.9 14.0 11 12 A L S S+ 0 0 37 32,-0.3 34,-2.5 -2,-0.2 -1,-0.1 0.986 116.0 14.6 -71.9 -59.1 88.8 4.5 16.8 12 13 A G S S- 0 0 18 31,-0.2 31,-0.2 32,-0.1 36,-0.2 0.650 86.5-134.8 -94.2 -16.4 85.9 2.0 16.7 13 14 A N S S+ 0 0 1 29,-0.3 30,-0.1 59,-0.1 60,-0.1 0.794 81.8 95.3 66.9 30.0 84.3 2.7 13.3 14 15 A I S S+ 0 0 12 39,-0.1 40,-3.3 58,-0.1 43,-0.2 0.472 90.3 18.1-124.4 -8.2 80.8 2.6 14.7 15 16 A C S > S+ 0 0 8 38,-0.2 4,-1.5 42,-0.1 5,-0.2 0.538 124.3 19.5-123.9 -86.6 80.1 6.3 15.4 16 17 A R H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 123.4 45.7 -61.0 -52.0 82.0 9.3 13.9 17 18 A S H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 113.5 47.6 -65.4 -41.7 83.7 7.7 10.9 18 19 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.878 112.6 50.9 -68.4 -29.1 80.6 5.8 9.6 19 20 A M H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.895 107.8 52.8 -69.9 -38.2 78.6 9.0 10.0 20 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 110.2 49.0 -62.3 -38.9 81.2 10.9 8.0 21 22 A E H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.892 109.8 50.1 -67.2 -41.3 80.9 8.3 5.3 22 23 A G H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.908 112.4 47.3 -63.3 -43.0 77.1 8.5 5.2 23 24 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.912 112.0 50.4 -63.5 -44.9 77.2 12.3 4.9 24 25 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.908 109.2 51.0 -60.8 -43.7 79.8 12.1 2.2 25 26 A R H X S+ 0 0 99 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.882 110.3 50.4 -62.5 -37.4 77.8 9.6 0.2 26 27 A K H X S+ 0 0 57 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.921 111.2 47.5 -66.8 -44.5 74.7 11.9 0.5 27 28 A L H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.877 106.3 57.7 -65.8 -37.3 76.7 14.9 -0.7 28 29 A L H X>S+ 0 0 8 -4,-2.5 5,-2.9 1,-0.2 6,-0.6 0.887 109.5 46.5 -59.9 -38.7 78.2 13.0 -3.7 29 30 A K H ><5S+ 0 0 126 -4,-1.4 3,-0.7 3,-0.2 -2,-0.2 0.930 112.2 48.0 -68.9 -48.2 74.6 12.3 -4.8 30 31 A E H 3<5S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 117.6 42.4 -62.4 -37.1 73.3 15.8 -4.4 31 32 A R H 3<5S- 0 0 88 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.496 109.0-120.3 -89.1 -3.5 76.3 17.3 -6.3 32 33 A G T <<5S+ 0 0 52 -3,-0.7 -3,-0.2 -4,-0.6 3,-0.1 0.915 74.5 125.3 66.1 44.6 76.4 14.6 -9.0 33 34 A L >>< + 0 0 18 -5,-2.9 3,-1.9 -6,-0.2 4,-0.8 0.179 23.1 113.3-119.8 16.6 80.0 13.5 -8.2 34 35 A E T 34 S+ 0 0 107 -6,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.745 77.5 56.4 -62.1 -21.8 79.5 9.8 -7.6 35 36 A D T 34 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.512 109.3 46.4 -86.9 -5.3 81.7 9.1 -10.7 36 37 A R T <4 S+ 0 0 114 -3,-1.9 -32,-2.2 -33,-0.1 2,-0.3 0.504 109.7 48.6-113.8 -7.3 84.6 11.1 -9.3 37 38 A F E < -a 4 0A 7 -4,-0.8 2,-0.4 -34,-0.2 -32,-0.2 -0.969 51.5-165.2-138.2 152.6 84.9 9.8 -5.7 38 39 A E E -a 5 0A 86 -34,-2.4 -32,-3.0 -2,-0.3 2,-0.3 -0.975 19.4-171.7-130.9 142.6 85.0 6.6 -3.8 39 40 A V E +a 6 0A 12 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.983 17.3 149.3-143.1 153.2 84.5 6.4 -0.0 40 41 A D E -a 7 0A 38 -34,-1.6 -32,-2.2 -2,-0.3 2,-0.3 -0.926 26.5-136.9-162.8 173.6 84.7 4.1 3.0 41 42 A S E +a 8 0A 0 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.980 19.6 174.7-143.3 153.4 85.4 4.3 6.7 42 43 A A E -a 9 0A 0 -34,-2.5 -32,-1.4 -2,-0.3 2,-0.3 -0.959 21.7-123.3-152.6 166.6 87.5 2.2 9.1 43 44 A G E -ac 10 74A 0 30,-2.3 32,-3.4 -2,-0.3 -32,-0.3 -0.815 14.4-134.8-116.7 157.2 88.7 2.1 12.6 44 45 A T S S+ 0 0 5 -34,-1.7 2,-0.2 -2,-0.3 -33,-0.2 0.753 92.5 58.7 -77.4 -23.6 92.2 2.0 14.2 45 46 A G S S- 0 0 6 -34,-2.5 -2,-0.2 -35,-0.3 30,-0.2 -0.569 70.4-145.0-103.8 168.4 90.9 -0.7 16.6 46 47 A A > + 0 0 50 -2,-0.2 3,-1.4 1,-0.1 28,-0.1 0.362 67.3 107.4-113.1 5.0 89.3 -4.1 16.1 47 48 A W T 3 S+ 0 0 117 1,-0.3 -1,-0.1 435,-0.0 -35,-0.1 0.796 90.1 34.1 -54.3 -31.8 86.8 -4.2 19.0 48 49 A H T > S+ 0 0 20 -36,-0.2 3,-2.5 -3,-0.1 24,-0.3 0.288 79.0 151.7-110.4 12.7 83.8 -3.7 16.7 49 50 A V T < S+ 0 0 84 -3,-1.4 24,-0.2 1,-0.3 -3,-0.1 -0.128 72.8 14.3 -49.8 131.6 84.8 -5.6 13.5 50 51 A G T 3 S+ 0 0 54 22,-3.2 -1,-0.3 1,-0.3 23,-0.1 0.223 100.1 122.1 89.4 -13.8 81.8 -6.9 11.6 51 52 A E < - 0 0 79 -3,-2.5 21,-3.1 21,-0.1 -1,-0.3 -0.388 63.3-117.0 -82.4 156.7 79.3 -4.8 13.6 52 53 A P - 0 0 85 0, 0.0 19,-0.2 0, 0.0 -1,-0.1 -0.368 50.7 -77.0 -82.0 171.9 76.8 -2.3 12.2 53 54 A M - 0 0 8 17,-0.3 -38,-0.2 1,-0.1 -39,-0.1 -0.176 64.9 -74.1 -65.2 166.4 77.2 1.3 13.2 54 55 A D >> - 0 0 15 -40,-3.3 4,-2.7 1,-0.1 3,-0.7 -0.317 41.1-120.7 -61.0 140.1 76.0 2.5 16.6 55 56 A P H 3> S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.834 115.2 52.6 -52.2 -37.0 72.2 2.7 16.9 56 57 A R H 3> S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.847 109.8 49.0 -69.1 -34.1 72.4 6.4 17.8 57 58 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 -43,-0.2 5,-0.2 0.942 111.7 48.1 -69.6 -47.6 74.5 6.9 14.6 58 59 A R H X S+ 0 0 114 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.907 110.7 52.9 -58.4 -42.3 72.0 5.0 12.5 59 60 A R H X S+ 0 0 125 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.941 110.9 44.6 -60.2 -49.3 69.2 7.0 14.0 60 61 A V H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.886 113.0 51.0 -64.6 -39.0 70.7 10.4 13.2 61 62 A L H X>S+ 0 0 0 -4,-2.5 5,-3.2 1,-0.2 4,-0.6 0.904 110.2 50.2 -66.0 -39.0 71.7 9.4 9.7 62 63 A E H ><5S+ 0 0 86 -4,-2.4 3,-0.9 -5,-0.2 -2,-0.2 0.906 106.4 55.8 -64.3 -39.8 68.2 8.2 9.0 63 64 A E H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 116.2 37.2 -59.9 -34.7 66.8 11.5 10.3 64 65 A E H 3<5S- 0 0 59 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.377 113.3-112.6 -99.9 3.7 69.0 13.3 7.8 65 66 A G T <<5S+ 0 0 49 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.908 86.5 113.2 67.5 40.7 68.6 10.9 4.9 66 67 A A < + 0 0 4 -5,-3.2 -4,-0.2 -8,-0.1 -41,-0.1 0.143 37.3 127.2-128.5 17.7 72.3 9.8 5.1 67 68 A Y + 0 0 82 -6,-0.6 -9,-0.1 -5,-0.1 -48,-0.0 -0.413 26.8 164.4 -77.7 154.5 72.0 6.2 6.2 68 69 A F - 0 0 19 -2,-0.1 2,-0.8 2,-0.0 -46,-0.1 -0.973 49.5 -79.1-160.8 160.0 73.7 3.4 4.3 69 70 A P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.564 57.3-177.2 -72.0 110.5 74.7 -0.2 5.0 70 71 A H - 0 0 11 -2,-0.8 2,-0.4 -56,-0.0 -17,-0.3 -0.875 19.3-172.3-112.5 146.1 77.8 -0.0 7.1 71 72 A V - 0 0 93 -2,-0.4 2,-0.2 -19,-0.2 -20,-0.1 -0.992 27.7-126.6-133.9 120.9 80.0 -2.8 8.4 72 73 A A + 0 0 2 -21,-3.1 -22,-3.2 -2,-0.4 2,-0.3 -0.472 37.2 167.9 -71.9 139.0 82.7 -1.8 10.9 73 74 A R - 0 0 63 -24,-0.2 -30,-2.3 -2,-0.2 2,-0.4 -0.930 34.2-104.9-144.7 165.6 86.2 -2.9 10.0 74 75 A R B -c 43 0A 92 -2,-0.3 -30,-0.2 -32,-0.2 -28,-0.1 -0.826 39.5-104.6-102.1 136.2 89.8 -2.2 11.1 75 76 A L - 0 0 2 -32,-3.4 2,-0.3 -2,-0.4 -1,-0.1 -0.203 41.7-165.4 -53.4 139.6 92.2 -0.1 9.0 76 77 A T > - 0 0 55 1,-0.1 4,-1.6 25,-0.0 3,-0.2 -0.786 36.4-106.1-126.1 169.6 94.9 -2.1 7.2 77 78 A R H > S+ 0 0 137 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.854 120.4 59.2 -63.3 -32.8 98.2 -1.4 5.4 78 79 A E H > S+ 0 0 143 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 101.3 54.3 -62.3 -41.4 96.3 -1.9 2.1 79 80 A D H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.925 105.4 52.5 -57.0 -47.4 93.9 0.9 3.0 80 81 A V H < S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.0 43.7 -59.7 -33.8 96.8 3.3 3.5 81 82 A L H < S+ 0 0 117 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.900 118.0 43.3 -77.1 -43.8 98.3 2.5 0.1 82 83 A A H < S+ 0 0 29 -4,-2.8 2,-0.2 -5,-0.1 -2,-0.2 0.863 98.5 78.1 -73.2 -40.4 94.9 2.6 -1.8 83 84 A Y < - 0 0 31 -4,-2.8 -77,-0.1 -5,-0.2 3,-0.1 -0.486 54.8-161.9 -80.3 144.2 93.3 5.7 -0.4 84 85 A D S S+ 0 0 48 -79,-1.3 2,-0.5 1,-0.3 -78,-0.2 0.806 83.3 36.5 -88.2 -35.5 94.2 9.2 -1.4 85 86 A H E -b 6 0A 25 -80,-2.4 -78,-3.1 2,-0.0 2,-0.7 -0.974 61.0-173.2-125.0 120.1 92.6 11.0 1.6 86 87 A I E -bd 7 108A 0 21,-2.6 23,-2.3 -2,-0.5 2,-0.8 -0.890 13.8-171.6-112.8 99.0 92.7 9.5 5.1 87 88 A L E -bd 8 109A 0 -80,-2.1 -78,-2.4 -2,-0.7 23,-0.2 -0.811 1.7-169.3-100.0 105.6 90.6 11.8 7.2 88 89 A V E -bd 9 110A 0 21,-1.9 23,-2.9 -2,-0.8 24,-0.3 -0.543 22.8-132.7 -91.2 158.0 90.7 11.1 10.9 89 90 A M S S- 0 0 0 -80,-1.6 31,-2.8 21,-0.2 2,-0.2 0.904 77.2 -0.9 -77.5 -44.9 88.4 12.6 13.6 90 91 A D S > S- 0 0 21 29,-0.2 4,-2.0 20,-0.1 5,-0.1 -0.805 78.2 -89.8-138.9-178.0 90.9 13.7 16.3 91 92 A R H > S+ 0 0 125 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.783 119.9 57.3 -68.2 -27.8 94.6 13.8 17.3 92 93 A E H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 109.1 46.7 -68.9 -38.7 94.5 10.5 19.0 93 94 A N H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 112.1 52.0 -63.7 -45.0 93.3 8.8 15.7 94 95 A L H X S+ 0 0 23 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.918 110.6 45.8 -58.2 -48.0 96.0 10.8 13.8 95 96 A E H X S+ 0 0 125 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.845 112.1 52.5 -65.9 -34.1 98.8 9.6 16.1 96 97 A E H X S+ 0 0 24 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.886 108.4 49.0 -70.2 -41.0 97.5 6.0 16.0 97 98 A V H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.952 113.5 47.2 -62.5 -48.7 97.4 5.9 12.2 98 99 A L H < S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.737 107.5 57.7 -64.8 -25.3 100.9 7.3 11.9 99 100 A R H < S+ 0 0 78 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.949 118.0 29.9 -70.6 -49.3 102.2 4.8 14.6 100 101 A R H < S+ 0 0 66 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.883 136.2 26.7 -76.6 -41.3 101.2 1.8 12.6 101 102 A F >< + 0 0 2 -4,-3.1 3,-2.4 -5,-0.3 -1,-0.2 -0.601 57.9 165.7-126.8 71.4 101.5 3.2 9.1 102 103 A P G > S+ 0 0 54 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.753 72.7 80.4 -52.9 -21.9 104.1 6.0 9.1 103 104 A E G 3 S+ 0 0 70 1,-0.3 3,-0.3 -3,-0.1 -5,-0.1 0.584 77.5 69.4 -64.5 -8.1 103.9 5.5 5.3 104 105 A A G X> + 0 0 0 -3,-2.4 4,-1.7 1,-0.2 3,-0.5 0.164 63.7 130.2 -94.5 19.6 100.7 7.6 5.4 105 106 A R T <4 S+ 0 0 187 -3,-1.4 -1,-0.2 1,-0.2 3,-0.1 0.842 74.3 31.1 -40.9 -55.3 102.7 10.7 6.2 106 107 A G T 34 S+ 0 0 79 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.738 119.7 48.6 -84.9 -24.2 101.3 13.0 3.5 107 108 A K T <4 S+ 0 0 58 -3,-0.5 -21,-2.6 -22,-0.1 2,-0.5 0.573 89.6 84.6 -99.5 -9.3 97.7 11.8 3.1 108 109 A V E < +d 86 0A 12 -4,-1.7 2,-0.3 -23,-0.2 -21,-0.2 -0.808 52.3 137.4 -95.8 134.5 96.5 11.5 6.7 109 110 A R E -d 87 0A 57 -23,-2.3 -21,-1.9 -2,-0.5 2,-0.2 -0.983 57.0 -73.8-163.1 164.0 95.0 14.6 8.4 110 111 A L E > -d 88 0A 6 -2,-0.3 3,-2.3 -23,-0.2 4,-0.3 -0.448 37.0-132.3 -65.9 133.7 92.2 15.8 10.6 111 112 A V G > S+ 0 0 0 -23,-2.9 3,-1.4 1,-0.3 -1,-0.1 0.860 106.5 61.0 -56.0 -35.4 88.8 15.9 8.8 112 113 A L G > >S+ 0 0 16 6,-0.4 5,-2.4 -24,-0.3 3,-1.6 0.467 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-6.5 40.7 542 91 D D S > S- 0 0 20 29,-0.2 4,-1.7 20,-0.1 3,-0.1 -0.757 78.3 -94.4-134.1-178.5 104.6 -9.0 43.1 543 92 D R H > S+ 0 0 125 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.744 119.0 60.8 -73.9 -21.5 104.3 -10.2 46.7 544 93 D E H > S+ 0 0 149 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 107.2 46.9 -67.5 -39.8 107.0 -7.8 47.9 545 94 D N H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 111.0 52.2 -64.4 -43.9 104.7 -5.0 46.8 546 95 D L H X S+ 0 0 24 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.954 111.9 44.8 -57.6 -53.2 101.8 -6.6 48.5 547 96 D E H X S+ 0 0 119 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.899 113.2 51.0 -60.4 -42.3 103.6 -7.0 51.8 548 97 D E H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.912 110.1 48.9 -63.9 -42.0 104.9 -3.4 51.6 549 98 D V H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.929 114.6 45.6 -62.5 -44.4 101.4 -2.0 50.9 550 99 D L H < S+ 0 0 40 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.827 110.5 54.9 -68.7 -31.4 100.0 -4.0 53.8 551 100 D R H < S+ 0 0 160 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.965 117.7 33.2 -64.8 -52.9 102.9 -2.9 56.1 552 101 D R H < S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.876 136.2 23.0 -72.0 -39.9 102.4 0.8 55.5 553 102 D F >< + 0 0 6 -4,-2.7 3,-2.1 -5,-0.3 -1,-0.2 -0.684 63.4 175.8-130.9 79.1 98.6 0.7 55.2 554 103 D P G > S+ 0 0 78 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.754 76.7 71.9 -55.1 -24.5 97.2 -2.4 56.9 555 104 D E G 3 S+ 0 0 95 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.421 79.6 76.7 -73.0 3.9 93.7 -1.1 56.1 556 105 D A G X> + 0 0 0 -3,-2.1 3,-3.0 -7,-0.2 4,-1.9 0.529 63.1 110.1 -88.5 -6.7 94.3 -2.0 52.5 557 106 D R T <4 S+ 0 0 203 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.786 77.2 42.4 -34.7 -55.0 93.8 -5.7 53.4 558 107 D G T 34 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.306 120.2 42.4 -84.3 12.7 90.5 -6.1 51.5 559 108 D K T <4 S+ 0 0 53 -3,-3.0 -21,-2.4 -22,-0.1 2,-0.4 0.592 92.1 84.0-127.3 -23.9 91.5 -4.2 48.4 560 109 D V E < +p 538 0D 13 -4,-1.9 2,-0.3 -23,-0.2 -21,-0.2 -0.716 47.7 143.6 -93.4 135.8 95.1 -5.1 47.5 561 110 D R E -p 539 0D 67 -23,-2.2 -21,-1.8 -2,-0.4 2,-0.1 -0.985 53.6 -77.6-161.4 158.6 95.9 -8.2 45.5 562 111 D L E > -p 540 0D 2 -2,-0.3 3,-1.4 -23,-0.2 -21,-0.2 -0.364 34.8-136.3 -61.0 136.7 98.4 -9.5 42.8 563 112 D V G > S+ 0 0 0 -23,-2.8 3,-1.1 1,-0.3 4,-0.2 0.852 106.4 54.4 -65.0 -33.0 97.5 -8.2 39.3 564 113 D L G > >S+ 0 0 16 6,-0.5 5,-0.8 -24,-0.3 3,-0.7 0.488 79.3 96.4 -79.1 -1.0 98.1 -11.7 37.9 565 114 D E G X 5S+ 0 0 78 -3,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.667 74.2 67.5 -60.1 -14.0 95.7 -13.1 40.4 566 115 D E G < 5S+ 0 0 19 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.926 100.2 43.9 -70.9 -47.1 93.2 -12.8 37.6 567 116 D L G < 5S- 0 0 96 -3,-0.7 2,-0.2 -4,-0.2 -1,-0.2 0.041 139.3 -77.6 -86.6 30.1 94.8 -15.5 35.5 568 117 D G T < 5S- 0 0 65 -3,-0.7 2,-0.3 2,-0.1 -3,-0.2 -0.323 85.8 -61.4 110.3 -54.7 95.2 -17.7 38.6 569 118 D G < + 0 0 35 -5,-0.8 2,-0.1 -2,-0.2 -4,-0.1 -0.951 66.4 120.7 160.4-177.0 98.2 -16.2 40.3 570 119 D G - 0 0 34 -2,-0.3 -6,-0.5 2,-0.0 2,-0.4 -0.446 52.3 -83.3 117.1 168.9 101.9 -15.3 40.0 571 120 D E - 0 0 101 -2,-0.1 2,-0.7 -7,-0.1 -29,-0.2 -0.921 27.9-126.2-117.4 139.3 104.2 -12.3 40.1 572 121 D V - 0 0 3 -31,-2.2 -104,-0.1 -2,-0.4 14,-0.1 -0.741 40.5-124.7 -80.6 115.0 105.0 -9.9 37.2 573 122 D Q - 0 0 163 -2,-0.7 -1,-0.0 1,-0.1 -31,-0.0 -0.314 19.7-108.6 -66.1 144.6 108.8 -10.0 37.2 574 123 D D - 0 0 64 1,-0.1 3,-0.4 -107,-0.0 -1,-0.1 -0.609 29.3-172.7 -74.8 118.8 110.8 -6.8 37.6 575 124 D P > + 0 0 5 0, 0.0 3,-1.9 0, 0.0 8,-0.2 0.322 53.9 109.0 -94.6 7.8 112.4 -5.9 34.2 576 125 D Y T 3 S+ 0 0 87 1,-0.3 -68,-0.1 6,-0.1 7,-0.0 0.818 84.2 40.1 -53.8 -37.1 114.4 -3.0 35.6 577 126 D Y T 3 S+ 0 0 202 -3,-0.4 -1,-0.3 2,-0.0 -3,-0.0 0.329 111.1 71.2 -95.4 5.5 117.8 -4.9 35.3 578 127 D G S < S- 0 0 31 -3,-1.9 2,-0.2 1,-0.2 -4,-0.0 0.118 82.7-104.6 -97.0-146.6 116.9 -6.4 32.0 579 128 D D > - 0 0 88 -71,-0.0 4,-1.5 -2,-0.0 3,-0.3 -0.575 47.0 -67.1-130.4-164.6 116.6 -4.9 28.5 580 129 D L H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.845 127.8 54.0 -58.3 -37.9 113.9 -3.8 26.0 581 130 D E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 102.9 54.6 -66.5 -39.7 112.8 -7.4 25.4 582 131 D D H > S+ 0 0 47 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.895 108.3 51.5 -60.2 -38.9 112.2 -8.2 29.1 583 132 D F H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.846 106.9 52.4 -65.9 -35.6 109.9 -5.1 29.1 584 133 D R H X S+ 0 0 57 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.901 107.8 52.0 -66.7 -39.0 108.1 -6.4 26.0 585 134 D E H X S+ 0 0 108 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.868 110.5 48.7 -63.4 -36.7 107.6 -9.7 27.9 586 135 D V H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.916 107.6 55.3 -68.7 -44.1 106.1 -7.7 30.8 587 136 D Y H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.945 111.3 42.4 -54.0 -54.2 103.8 -5.7 28.5 588 137 D W H X S+ 0 0 125 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.802 111.8 55.0 -66.9 -28.5 102.2 -8.9 27.1 589 138 D T H X S+ 0 0 60 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.939 114.6 40.2 -68.4 -44.8 102.0 -10.5 30.5 590 139 D L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.874 110.3 59.8 -69.3 -37.5 100.1 -7.5 31.8 591 140 D E H X S+ 0 0 39 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.920 106.9 46.0 -57.1 -45.3 98.1 -7.2 28.6 592 141 D A H X S+ 0 0 42 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.904 113.3 49.0 -65.9 -41.9 96.6 -10.7 29.1 593 142 D A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.908 112.9 46.9 -65.0 -41.4 95.9 -10.1 32.7 594 143 D L H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.842 109.2 53.1 -71.6 -32.8 94.1 -6.8 32.1 595 144 D Q H X S+ 0 0 52 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.938 111.5 48.0 -64.8 -43.3 92.1 -8.2 29.2 596 145 D A H X S+ 0 0 19 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.855 109.1 54.3 -63.3 -36.5 91.0 -10.9 31.6 597 146 D F H >X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 3,-0.6 0.944 109.9 45.0 -63.1 -50.7 90.2 -8.2 34.2 598 147 D L H 3X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.798 106.9 59.5 -65.9 -28.0 87.9 -6.3 31.9 599 148 D D H 3< S+ 0 0 104 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.835 115.3 37.7 -67.4 -29.4 86.2 -9.5 30.8 600 149 D R H << S+ 0 0 139 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.944 130.9 24.1 -80.5 -64.1 85.3 -10.0 34.5 601 150 D H H < 0 0 58 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.480 360.0 360.0 -87.5 -6.5 84.4 -6.6 35.8 602 151 D G < 0 0 42 -4,-1.4 -3,-0.0 -5,-0.4 -117,-0.0 -0.230 360.0 360.0 -81.2 360.0 83.5 -5.1 32.4