==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAY-02 1LVG . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR N.SEKULIC,L.SHUVALOVA,O.SPANGENBERG,M.KONRAD,A.LAVIE . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.8 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 . 2 1.1 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 . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 5 A R 0 0 153 0, 0.0 113,-0.1 0, 0.0 111,-0.1 0.000 360.0 360.0 360.0 119.7 81.7 -23.8 28.2 2 6 A P - 0 0 13 0, 0.0 112,-2.1 0, 0.0 2,-0.5 -0.120 360.0-128.5 -67.3 165.2 82.3 -25.5 31.6 3 7 A V E -ab 95 114A 2 91,-3.1 93,-3.3 110,-0.2 2,-0.5 -0.952 14.0-165.2-122.0 129.7 82.2 -23.8 34.9 4 8 A V E -ab 96 115A 0 110,-2.8 112,-3.0 -2,-0.5 2,-0.5 -0.965 6.7-169.5-115.1 122.3 84.8 -24.0 37.7 5 9 A L E +ab 97 116A 1 91,-3.1 93,-1.8 -2,-0.5 2,-0.2 -0.930 15.5 164.3-107.5 131.5 83.7 -22.7 41.1 6 10 A S E + b 0 117A 2 110,-2.8 112,-2.9 -2,-0.5 93,-0.2 -0.776 10.2 119.7-135.7-177.6 86.4 -22.3 43.7 7 11 A G - 0 0 12 91,-0.3 112,-0.2 -2,-0.2 3,-0.1 -0.692 62.6 -46.3 138.9 167.7 86.8 -20.6 47.1 8 12 A P > - 0 0 4 0, 0.0 3,-2.0 0, 0.0 5,-0.3 -0.175 68.2 -85.8 -67.4 160.9 87.5 -21.5 50.7 9 13 A S T 3 S+ 0 0 11 135,-0.3 121,-0.1 1,-0.3 139,-0.1 -0.467 120.0 26.2 -63.3 129.9 86.0 -24.4 52.5 10 14 A G T 3 S+ 0 0 16 -2,-0.2 -1,-0.3 -3,-0.1 119,-0.0 0.360 84.3 120.7 96.4 -5.2 82.7 -23.1 54.0 11 15 A A S < S- 0 0 0 -3,-2.0 156,-0.1 107,-0.1 -2,-0.1 0.753 87.7 -99.8 -63.2 -29.3 82.2 -20.4 51.4 12 16 A G S > S+ 0 0 11 -4,-0.2 4,-2.7 -5,-0.1 5,-0.2 0.553 77.9 133.9 117.0 16.0 78.9 -21.7 50.1 13 17 A K H > S+ 0 0 23 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.952 76.6 43.7 -64.2 -51.0 79.8 -23.6 46.9 14 18 A S H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 115.4 52.0 -61.4 -37.5 77.8 -26.7 47.6 15 19 A T H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.925 112.4 43.0 -63.8 -47.0 74.9 -24.6 48.7 16 20 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.928 115.3 50.0 -64.8 -44.0 74.9 -22.4 45.6 17 21 A L H X S+ 0 0 6 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.871 105.2 56.1 -65.1 -35.9 75.4 -25.4 43.3 18 22 A K H X S+ 0 0 160 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.934 110.5 46.5 -60.7 -44.3 72.5 -27.4 44.9 19 23 A K H X S+ 0 0 47 -4,-1.7 4,-1.7 2,-0.2 5,-0.2 0.919 112.0 51.1 -61.8 -44.4 70.3 -24.4 44.0 20 24 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.934 112.8 44.5 -60.5 -45.5 71.7 -24.2 40.5 21 25 A F H X S+ 0 0 44 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.802 109.7 54.0 -71.4 -30.1 71.1 -27.9 39.8 22 26 A Q H < S+ 0 0 150 -4,-1.9 3,-0.2 -5,-0.2 -1,-0.2 0.870 118.4 37.1 -74.1 -30.2 67.6 -28.1 41.3 23 27 A E H < S+ 0 0 95 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.847 133.3 23.5 -86.8 -33.4 66.6 -25.2 39.0 24 28 A H H >X + 0 0 23 -4,-2.9 4,-2.2 -5,-0.2 3,-1.5 -0.202 64.7 136.8-128.5 48.1 68.7 -26.2 35.9 25 29 A S T 3< S+ 0 0 67 -4,-0.6 -1,-0.1 1,-0.3 -4,-0.1 0.721 75.3 64.7 -65.5 -14.5 69.4 -30.0 35.9 26 30 A S T 34 S+ 0 0 98 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.732 113.4 29.9 -77.0 -23.1 68.5 -29.9 32.2 27 31 A I T <4 S+ 0 0 7 -3,-1.5 66,-3.0 65,-0.1 2,-0.3 0.783 114.4 57.1-104.6 -38.2 71.5 -27.7 31.4 28 32 A F E < -c 93 0A 4 -4,-2.2 2,-0.4 64,-0.2 66,-0.2 -0.767 51.5-169.2-106.5 147.7 74.2 -28.5 34.0 29 33 A G E -c 94 0A 7 64,-2.4 66,-2.6 -2,-0.3 2,-0.4 -0.989 23.1-129.2-129.7 138.1 76.0 -31.7 35.0 30 34 A F E -c 95 0A 57 -2,-0.4 2,-0.6 64,-0.2 66,-0.2 -0.717 15.4-128.3 -91.9 135.8 78.2 -31.9 38.1 31 35 A S - 0 0 1 64,-2.9 2,-0.9 -2,-0.4 66,-0.3 -0.720 22.8-143.1 -80.1 120.7 81.7 -33.3 37.8 32 36 A V - 0 0 18 -2,-0.6 48,-0.4 51,-0.2 17,-0.2 -0.762 19.6-157.3 -92.8 105.6 82.0 -36.0 40.5 33 37 A S - 0 0 9 -2,-0.9 17,-2.3 15,-0.5 2,-0.3 -0.278 13.9-118.4 -74.5 162.8 85.5 -35.8 42.0 34 38 A H E +eF 50 78B 29 44,-2.7 44,-1.7 15,-0.2 2,-0.3 -0.802 36.5 176.2 -98.6 146.9 87.3 -38.6 43.8 35 39 A T E -eF 51 77B 0 15,-2.4 17,-2.5 -2,-0.3 42,-0.2 -0.996 35.7-148.8-149.6 153.1 88.3 -38.0 47.4 36 40 A T + 0 0 27 40,-1.9 18,-0.2 -2,-0.3 41,-0.1 0.577 69.8 104.1 -93.7 -12.8 89.9 -39.9 50.3 37 41 A R S S- 0 0 17 39,-0.4 -2,-0.1 1,-0.1 15,-0.1 -0.238 80.5 -98.8 -69.4 161.8 88.0 -38.1 53.0 38 42 A N - 0 0 135 1,-0.1 -1,-0.1 13,-0.1 -2,-0.1 -0.509 42.4 -99.2 -78.9 146.1 85.1 -39.7 54.8 39 43 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.267 32.2-133.5 -62.5 149.8 81.5 -39.0 53.7 40 44 A R > - 0 0 35 1,-0.1 3,-2.6 -3,-0.1 95,-0.1 -0.695 43.8 -78.3 -97.4 156.6 79.6 -36.4 55.8 41 45 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.305 123.4 23.7 -55.6 137.7 76.1 -37.3 56.8 42 46 A G T 3 S+ 0 0 80 1,-0.3 2,-0.2 -3,-0.1 0, 0.0 0.235 94.7 120.1 91.4 -16.8 73.9 -36.8 53.8 43 47 A E < - 0 0 38 -3,-2.6 2,-0.4 4,-0.0 -1,-0.3 -0.517 50.8-149.8 -80.3 153.2 76.7 -37.1 51.3 44 48 A E >>> - 0 0 123 -2,-0.2 4,-2.4 -3,-0.1 3,-2.2 -0.980 15.1-117.1-133.6 129.8 76.3 -39.9 48.8 45 49 A D B 345S+h 49 0C 101 -2,-0.4 5,-0.2 1,-0.3 0, 0.0 -0.323 104.8 18.0 -60.0 136.1 78.9 -42.0 47.0 46 50 A G T 345S+ 0 0 32 3,-2.6 -1,-0.3 -13,-0.2 4,-0.2 0.323 126.6 61.0 82.7 -8.4 78.8 -41.4 43.2 47 51 A K T <45S+ 0 0 113 -3,-2.2 -2,-0.2 2,-0.6 3,-0.1 0.765 117.4 14.6-113.5 -60.9 76.9 -38.2 43.9 48 52 A D T <5S- 0 0 36 -4,-2.4 -15,-0.5 1,-0.4 2,-0.3 0.863 137.4 -26.1 -82.8 -37.0 78.9 -35.8 46.0 49 53 A Y B < -h 45 0C 35 -5,-0.8 -3,-2.6 -17,-0.2 2,-0.7 -0.940 60.8-104.0-160.6 170.1 82.2 -37.6 45.4 50 54 A Y E -e 34 0B 86 -17,-2.3 -15,-2.4 -2,-0.3 2,-0.9 -0.965 42.5-145.7-104.3 109.8 83.6 -41.0 44.7 51 55 A F E +e 35 0B 36 -2,-0.7 2,-0.2 -17,-0.2 -15,-0.2 -0.732 37.0 152.5 -83.9 107.7 84.8 -41.9 48.2 52 56 A V - 0 0 32 -17,-2.5 2,-0.2 -2,-0.9 -2,-0.0 -0.717 44.5 -88.0-129.5 178.7 87.9 -44.0 47.7 53 57 A T > - 0 0 62 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.602 31.3-121.2 -90.8 152.4 91.2 -44.9 49.4 54 58 A R H > S+ 0 0 77 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.895 113.6 58.4 -55.4 -38.8 94.4 -43.0 49.0 55 59 A E H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 107.1 43.0 -57.9 -53.3 96.0 -46.1 47.6 56 60 A M H > S+ 0 0 65 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.934 114.4 52.6 -59.5 -47.0 93.5 -46.6 44.7 57 61 A M H X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.912 108.9 47.9 -56.9 -45.3 93.7 -42.9 43.9 58 62 A Q H X S+ 0 0 104 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.911 112.8 50.7 -64.0 -38.2 97.5 -42.9 43.7 59 63 A R H X S+ 0 0 161 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.954 114.2 42.5 -61.9 -51.2 97.2 -45.9 41.5 60 64 A D H X>S+ 0 0 58 -4,-3.4 5,-2.4 2,-0.2 4,-0.5 0.890 112.1 54.7 -65.8 -36.6 94.7 -44.3 39.2 61 65 A I H ><5S+ 0 0 36 -4,-3.2 3,-1.6 -5,-0.3 5,-0.3 0.956 110.9 45.1 -60.0 -48.4 96.6 -41.0 39.2 62 66 A A H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.867 106.7 59.5 -64.3 -34.9 99.8 -42.8 38.1 63 67 A A H 3<5S- 0 0 70 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.625 119.6-113.5 -68.8 -9.1 97.8 -44.7 35.5 64 68 A G T <<5S+ 0 0 29 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.691 75.5 133.2 87.2 18.1 96.9 -41.3 34.0 65 69 A D < + 0 0 74 -5,-2.4 16,-3.0 15,-0.1 17,-0.5 0.557 51.7 80.9 -77.1 -10.0 93.1 -41.4 34.8 66 70 A F E -G 80 0B 22 -6,-0.3 14,-0.3 -5,-0.3 3,-0.1 -0.818 57.6-159.0-111.1 143.6 93.0 -37.9 36.3 67 71 A I E S- 0 0 51 12,-2.8 2,-0.3 -2,-0.4 13,-0.2 0.881 87.3 -21.0 -74.2 -42.3 92.8 -34.4 34.8 68 72 A E E -G 79 0B 14 11,-1.1 11,-1.9 2,-0.0 -1,-0.3 -0.979 61.0-167.8-161.4 159.4 94.2 -33.0 38.0 69 73 A H E -G 78 0B 91 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.960 7.1-177.3-148.6 160.9 94.6 -33.9 41.7 70 74 A A E -G 77 0B 7 7,-2.7 7,-2.3 -2,-0.3 2,-0.5 -0.971 28.0-121.1-162.4 147.7 95.5 -32.1 44.9 71 75 A E E +G 76 0B 78 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.796 36.4 177.6 -91.6 131.7 96.1 -32.6 48.6 72 76 A F E > -G 75 0B 31 3,-3.7 3,-2.2 -2,-0.5 72,-0.1 -0.979 59.2 -24.6-143.2 124.8 93.8 -30.4 50.7 73 77 A S T 3 S- 0 0 19 -2,-0.4 71,-0.1 1,-0.3 70,-0.1 0.871 128.8 -40.7 39.9 55.7 93.5 -30.3 54.5 74 78 A G T 3 S+ 0 0 40 1,-0.2 2,-0.3 69,-0.1 -1,-0.3 0.389 123.2 88.9 82.7 -4.9 94.9 -33.8 55.0 75 79 A N E < - G 0 72B 40 -3,-2.2 -3,-3.7 -38,-0.0 2,-0.4 -0.893 69.9-121.4-129.2 161.3 93.1 -35.5 52.1 76 80 A L E + G 0 71B 9 -2,-0.3 -40,-1.9 -5,-0.2 -39,-0.4 -0.817 30.9 175.7-100.6 135.6 93.6 -36.2 48.4 77 81 A Y E +FG 35 70B 32 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.3 -0.930 2.1 167.3-134.4 157.1 91.1 -34.9 45.8 78 82 A G E -FG 34 69B 1 -44,-1.7 -44,-2.7 -2,-0.3 2,-0.8 -0.953 36.3-124.8-172.1 151.0 91.0 -35.1 42.0 79 83 A T E - G 0 68B 2 -11,-1.9 -12,-2.8 -2,-0.3 -11,-1.1 -0.886 34.0-148.6 -99.6 108.2 88.9 -34.6 38.9 80 84 A S E > - G 0 66B 9 -2,-0.8 4,-0.9 -48,-0.4 -14,-0.3 -0.391 19.9-121.0 -74.0 156.3 89.1 -37.9 36.9 81 85 A K H >> S+ 0 0 82 -16,-3.0 4,-2.6 1,-0.2 3,-0.5 0.892 111.6 55.6 -62.3 -39.5 88.9 -37.6 33.1 82 86 A E H 3> S+ 0 0 117 -17,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.810 97.4 60.3 -64.9 -34.9 85.8 -39.8 33.1 83 87 A A H 3> S+ 0 0 8 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.844 113.9 38.0 -63.4 -33.0 83.8 -37.6 35.5 84 88 A V H <>S+ 0 0 6 -4,-0.8 5,-1.5 -3,-0.3 3,-0.5 0.940 115.3 46.6 -67.5 -48.0 78.9 -34.9 31.6 88 92 A Q H ><5S+ 0 0 91 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.869 106.8 59.3 -64.1 -33.8 80.0 -33.7 28.2 89 93 A A H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 103.7 51.6 -62.6 -32.7 78.9 -36.9 26.6 90 94 A M T <<5S- 0 0 103 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.186 120.0-112.5 -87.6 13.6 75.3 -36.2 27.8 91 95 A N T < 5S+ 0 0 152 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.916 71.5 135.4 55.3 50.2 75.5 -32.8 26.3 92 96 A R < - 0 0 95 -5,-1.5 2,-0.7 -63,-0.0 -64,-0.2 -0.886 64.5-102.4-124.2 157.9 75.5 -30.9 29.5 93 97 A I E - c 0 28A 24 -66,-3.0 -64,-2.4 -2,-0.3 2,-0.3 -0.692 42.5-130.2 -79.1 119.1 77.5 -28.0 30.8 94 98 A C E - c 0 29A 1 -2,-0.7 -91,-3.1 -66,-0.2 2,-0.5 -0.503 21.5-163.9 -76.9 130.9 80.1 -29.4 33.2 95 99 A V E -ac 3 30A 1 -66,-2.6 -64,-2.9 -2,-0.3 2,-0.3 -0.971 5.0-167.4-117.7 128.0 80.4 -27.8 36.6 96 100 A L E -a 4 0A 2 -93,-3.3 -91,-3.1 -2,-0.5 2,-0.5 -0.895 14.5-159.6-118.5 144.1 83.4 -28.4 38.8 97 101 A D E +a 5 0A 27 -2,-0.3 2,-0.3 -66,-0.3 -91,-0.2 -0.960 36.6 146.1-119.9 106.9 84.0 -27.5 42.5 98 102 A V - 0 0 11 -93,-1.8 -91,-0.3 -2,-0.5 -2,-0.0 -0.935 44.4-106.5-140.1 165.7 87.8 -27.5 43.2 99 103 A D > - 0 0 28 -2,-0.3 4,-1.9 -93,-0.2 5,-0.1 -0.116 49.2 -87.5 -81.0-176.2 90.4 -25.7 45.3 100 104 A L H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.830 128.5 54.9 -63.5 -37.3 93.0 -23.2 44.1 101 105 A Q H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 108.4 51.5 -62.7 -40.3 95.5 -25.9 43.2 102 106 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.913 108.8 50.0 -60.7 -41.7 92.7 -27.4 41.1 103 107 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.955 111.1 48.4 -61.3 -49.8 92.1 -24.0 39.4 104 108 A R H < S+ 0 0 76 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.885 113.6 47.7 -60.6 -37.7 95.8 -23.5 38.6 105 109 A S H >< S+ 0 0 38 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.919 109.1 52.1 -69.3 -44.5 96.0 -27.0 37.2 106 110 A I H >< S+ 0 0 5 -4,-2.7 3,-2.1 1,-0.3 6,-0.4 0.804 96.6 68.8 -62.1 -28.4 92.8 -26.7 35.0 107 111 A K T 3< S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.758 99.0 52.8 -60.5 -25.4 94.2 -23.5 33.5 108 112 A K T < S+ 0 0 163 -3,-1.5 -1,-0.3 -4,-0.4 2,-0.2 0.163 101.6 75.4 -97.3 15.9 96.8 -25.7 31.8 109 113 A T S < S- 0 0 45 -3,-2.1 3,-0.4 1,-0.0 -3,-0.0 -0.640 89.3-109.7-117.8 179.5 94.2 -28.1 30.3 110 114 A D S S+ 0 0 149 -2,-0.2 -3,-0.1 1,-0.2 -4,-0.1 0.216 90.1 100.8 -95.2 18.7 91.8 -27.9 27.4 111 115 A L - 0 0 19 -5,-0.4 -1,-0.2 -110,-0.1 -4,-0.1 0.908 61.4-170.1 -67.3 -38.0 88.7 -27.7 29.6 112 116 A C + 0 0 82 -3,-0.4 2,-0.1 -6,-0.4 -5,-0.1 0.931 18.7 165.7 47.4 66.6 88.6 -23.9 29.0 113 117 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -110,-0.2 -0.295 45.0 -99.4 -99.2-176.5 86.0 -22.9 31.6 114 118 A I E -b 3 0A 23 -112,-2.1 -110,-2.8 -113,-0.1 2,-0.5 -0.880 41.4-140.6 -98.2 138.0 84.8 -19.7 33.2 115 119 A Y E -b 4 0A 15 -2,-0.4 47,-1.9 -112,-0.2 48,-1.2 -0.911 20.2-175.6-108.2 126.0 86.4 -19.4 36.7 116 120 A I E -bd 5 163A 0 -112,-3.0 -110,-2.8 -2,-0.5 2,-0.5 -0.971 13.0-152.5-125.8 131.5 84.3 -18.1 39.6 117 121 A F E -bd 6 164A 2 46,-3.0 48,-3.4 -2,-0.4 2,-0.7 -0.901 6.6-154.2-105.7 123.5 85.6 -17.5 43.2 118 122 A V E - d 0 165A 0 -112,-2.9 48,-0.2 -2,-0.5 -105,-0.1 -0.888 19.1-171.5 -99.7 115.2 83.0 -17.7 46.0 119 123 A Q E - d 0 166A 40 46,-3.1 48,-2.6 -2,-0.7 -112,-0.0 -0.883 18.0-131.1-113.4 135.0 84.1 -15.6 48.9 120 124 A P - 0 0 1 0, 0.0 48,-0.2 0, 0.0 3,-0.1 -0.368 35.2-103.1 -77.3 163.4 82.7 -15.3 52.4 121 125 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 47,-0.1 0.850 95.4 -30.8 -52.7 -35.1 81.9 -11.9 53.9 122 126 A S > - 0 0 42 1,-0.1 4,-2.7 0, 0.0 5,-0.1 -0.948 67.1 -93.8-173.0 167.2 85.0 -12.2 56.0 123 127 A L H > S+ 0 0 44 -2,-0.3 4,-3.5 2,-0.2 5,-0.2 0.889 122.0 56.0 -63.9 -40.4 87.1 -14.9 57.6 124 128 A D H > S+ 0 0 133 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 111.3 43.5 -56.1 -49.3 85.3 -14.6 60.9 125 129 A V H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.938 113.0 53.0 -63.0 -43.9 82.0 -15.2 59.2 126 130 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.946 110.7 46.6 -56.1 -49.5 83.6 -18.1 57.2 127 131 A E H X S+ 0 0 73 -4,-3.5 4,-3.0 1,-0.2 5,-0.3 0.927 111.3 52.2 -59.7 -43.3 84.8 -19.7 60.4 128 132 A Q H X S+ 0 0 106 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.911 112.9 43.2 -60.7 -43.6 81.5 -19.2 62.1 129 133 A R H X S+ 0 0 73 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.887 114.7 50.1 -70.5 -35.8 79.5 -20.9 59.3 130 134 A L H X>S+ 0 0 1 -4,-2.5 4,-0.9 -5,-0.3 5,-0.5 0.944 112.8 45.6 -68.8 -44.7 82.1 -23.7 58.9 131 135 A R H ><5S+ 0 0 92 -4,-3.0 3,-0.8 -5,-0.2 -1,-0.2 0.928 112.5 52.9 -62.6 -41.1 82.0 -24.4 62.6 132 136 A L H 3<5S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.879 98.7 60.1 -62.4 -40.2 78.2 -24.3 62.6 133 137 A R H 3<5S- 0 0 98 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.809 94.1-159.5 -58.2 -26.8 77.9 -26.8 59.7 134 138 A N T <<5 + 0 0 137 -4,-0.9 -3,-0.1 -3,-0.8 -2,-0.1 0.879 50.0 120.4 49.8 53.2 79.7 -29.0 62.3 135 139 A T < + 0 0 46 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.513 55.7 71.5-118.8 -12.4 81.1 -31.6 59.9 136 140 A E S S- 0 0 26 -6,-0.3 2,-0.1 -5,-0.1 -2,-0.0 -0.784 76.1-119.8-111.1 152.7 84.9 -31.2 60.5 137 141 A T > - 0 0 97 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.349 39.1-102.7 -77.4 165.9 87.2 -32.2 63.4 138 142 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.849 124.5 51.0 -60.6 -34.9 89.1 -29.4 65.1 139 143 A E H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.1 48.0 -66.8 -43.2 92.3 -30.4 63.3 140 144 A S H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 110.7 51.7 -64.7 -40.7 90.4 -30.3 60.0 141 145 A L H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.918 107.6 52.4 -62.7 -42.8 88.9 -26.9 60.8 142 146 A A H X S+ 0 0 54 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 111.4 46.5 -60.0 -45.3 92.4 -25.5 61.6 143 147 A K H X S+ 0 0 85 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.921 113.0 49.2 -64.0 -42.4 93.7 -26.7 58.2 144 148 A R H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -135,-0.3 0.902 112.4 46.5 -64.8 -40.7 90.8 -25.3 56.3 145 149 A L H X S+ 0 0 28 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.871 112.1 51.1 -70.2 -36.4 90.9 -21.9 57.9 146 150 A A H X S+ 0 0 57 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.956 112.2 47.1 -63.4 -48.6 94.6 -21.7 57.4 147 151 A A H X S+ 0 0 20 -4,-2.7 4,-3.6 1,-0.2 5,-0.3 0.903 109.2 55.6 -58.8 -41.2 94.1 -22.6 53.7 148 152 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.922 108.1 46.3 -59.8 -46.3 91.3 -20.0 53.5 149 153 A R H < S+ 0 0 186 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.988 117.9 44.5 -58.1 -55.7 93.5 -17.1 54.7 150 154 A T H >< S+ 0 0 90 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.896 116.7 43.4 -53.6 -50.9 96.3 -18.2 52.4 151 155 A D H >X S+ 0 0 32 -4,-3.6 3,-1.6 1,-0.2 4,-0.6 0.798 91.3 80.3 -72.7 -27.3 94.1 -18.8 49.3 152 156 A M T 3< S+ 0 0 34 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.694 80.5 75.3 -54.5 -13.3 91.9 -15.7 49.7 153 157 A E T X4 S+ 0 0 97 -3,-1.0 3,-2.1 -4,-0.4 4,-0.3 0.962 88.5 58.4 -54.7 -57.0 95.0 -14.1 48.0 154 158 A S G X4 S+ 0 0 0 -3,-1.6 3,-0.9 1,-0.3 7,-0.4 0.738 81.1 75.2 -47.5 -41.6 94.0 -15.6 44.7 155 159 A S G 3< S+ 0 0 28 -4,-0.6 -1,-0.3 1,-0.3 6,-0.2 0.845 111.1 38.2 -47.0 -23.2 90.5 -14.0 44.4 156 160 A K G < S+ 0 0 74 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.3 0.568 79.1 119.5-103.1 -16.5 92.8 -11.1 43.6 157 161 A E S X> S- 0 0 87 -3,-0.9 3,-2.3 -4,-0.3 4,-0.5 -0.382 80.6-102.4 -55.3 115.3 95.7 -12.6 41.5 158 162 A P T 34 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.108 98.3 1.2 -44.4 124.5 95.3 -10.7 38.2 159 163 A G T 34 S+ 0 0 68 2,-0.2 -2,-0.1 -3,-0.1 3,-0.0 0.291 101.4 106.9 79.3 -9.6 93.6 -12.8 35.5 160 164 A L T <4 S+ 0 0 8 -3,-2.3 2,-0.4 -6,-0.2 -5,-0.1 0.991 79.2 33.7 -65.4 -61.8 93.1 -15.8 37.7 161 165 A F < - 0 0 24 -4,-0.5 -2,-0.2 -7,-0.4 -45,-0.2 -0.772 60.8-152.8-101.7 142.2 89.3 -15.6 38.3 162 166 A D S S+ 0 0 90 -47,-1.9 2,-0.3 -2,-0.4 -46,-0.2 0.737 83.9 6.3 -78.2 -23.6 86.7 -14.3 35.8 163 167 A L E -d 116 0A 57 -48,-1.2 -46,-3.0 2,-0.0 2,-0.5 -0.988 57.8-147.3-161.0 150.1 84.5 -13.3 38.7 164 168 A V E -d 117 0A 55 -2,-0.3 2,-0.5 -48,-0.2 -46,-0.2 -0.983 16.2-166.8-121.5 124.6 84.3 -13.0 42.5 165 169 A I E -d 118 0A 4 -48,-3.4 -46,-3.1 -2,-0.5 2,-0.6 -0.965 12.2-146.0-116.2 126.7 81.0 -13.6 44.2 166 170 A I E -d 119 0A 91 -2,-0.5 2,-1.5 -48,-0.2 3,-0.3 -0.799 7.4-150.3 -91.3 119.9 80.5 -12.6 47.8 167 171 A N + 0 0 10 -48,-2.6 3,-0.2 -2,-0.6 -1,-0.1 -0.574 55.6 123.2 -90.6 73.0 78.2 -15.1 49.5 168 172 A D S S+ 0 0 106 -2,-1.5 2,-0.6 1,-0.5 -1,-0.2 0.870 80.4 23.4 -91.6 -76.1 76.8 -12.6 52.1 169 173 A D S > S- 0 0 84 -3,-0.3 4,-2.2 1,-0.2 -1,-0.5 -0.834 82.0-146.8 -90.1 124.1 73.1 -12.9 51.3 170 174 A L H > S+ 0 0 55 -2,-0.6 4,-3.1 1,-0.2 5,-0.3 0.925 94.0 50.4 -60.5 -49.5 72.5 -16.2 49.6 171 175 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 112.4 49.2 -55.3 -42.5 69.7 -15.3 47.3 172 176 A K H > S+ 0 0 149 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 111.3 48.6 -64.2 -40.8 71.7 -12.3 46.1 173 177 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.926 111.6 50.3 -66.2 -43.8 74.8 -14.5 45.5 174 178 A Y H X S+ 0 0 18 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.904 108.9 50.3 -62.7 -40.4 72.8 -17.1 43.6 175 179 A A H X S+ 0 0 55 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.925 110.8 51.3 -63.4 -38.4 71.2 -14.4 41.4 176 180 A T H X S+ 0 0 42 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.914 109.3 50.4 -63.0 -42.5 74.8 -13.1 40.7 177 181 A L H X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.931 111.0 47.7 -62.1 -46.4 75.9 -16.7 39.8 178 182 A K H < S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.871 109.8 53.0 -64.4 -35.1 73.0 -17.2 37.4 179 183 A Q H >< S+ 0 0 147 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.926 105.5 53.9 -66.7 -39.9 73.6 -13.8 35.7 180 184 A A H 3< S+ 0 0 38 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.878 118.7 36.3 -59.7 -33.9 77.2 -14.8 35.2 181 185 A L T 3X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.215 82.3 114.8-101.9 9.6 76.0 -17.9 33.5 182 186 A S H <> S+ 0 0 50 -3,-1.4 4,-3.1 -4,-0.2 5,-0.2 0.800 76.3 51.7 -52.6 -35.2 72.9 -16.3 31.8 183 187 A E H > S+ 0 0 121 -4,-0.3 4,-3.8 -3,-0.3 5,-0.3 0.999 111.2 43.6 -66.7 -64.2 74.3 -16.9 28.3 184 188 A E H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 6,-0.2 0.898 117.7 49.7 -44.3 -46.6 75.1 -20.6 28.7 185 189 A I H <>S+ 0 0 18 -4,-2.8 5,-3.0 -7,-0.2 -1,-0.2 0.937 114.9 41.5 -59.8 -50.5 71.7 -20.8 30.4 186 190 A K H ><5S+ 0 0 59 -4,-3.1 3,-1.2 3,-0.2 -2,-0.2 0.925 115.6 50.4 -64.4 -46.3 69.9 -19.0 27.6 187 191 A K H 3<5S+ 0 0 146 -4,-3.8 -2,-0.2 1,-0.3 -1,-0.2 0.949 106.1 53.4 -56.4 -53.1 71.8 -20.8 24.8 188 192 A A T 3<5S- 0 0 55 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.624 119.9-119.1 -58.1 -9.5 71.1 -24.2 26.3 189 193 A Q T < 5 0 0 87 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.2 0.774 360.0 360.0 73.4 29.8 67.5 -22.9 26.1 190 194 A G < 0 0 55 -5,-3.0 -1,-0.2 -6,-0.2 -166,-0.1 -0.371 360.0 360.0 -99.7 360.0 67.1 -23.2 29.8