==== 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 25-MAY-09 3HKO . COMPND 2 MOLECULE: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE WITH . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM IOWA II; . AUTHOR A.K.WERNIMONT,A.HUTCHINSON,G.WASNEY,M.VEDADI,F.MACKENZIE, . 319 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 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 . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 3 1 1 1 0 1 2 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 2 2 1 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 . 1 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 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 -4 A L 0 0 25 0, 0.0 2,-0.4 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 62.1 -6.8 -21.9 -27.7 2 -3 A Y + 0 0 163 1,-0.1 86,-0.1 2,-0.0 83,-0.0 -0.993 360.0 176.9-120.8 128.6 -7.8 -18.4 -28.7 3 -2 A F - 0 0 23 -2,-0.4 -1,-0.1 61,-0.0 78,-0.1 0.196 49.2-112.2-115.7 12.7 -5.5 -15.5 -27.6 4 -1 A Q + 0 0 79 1,-0.1 77,-0.1 2,-0.0 2,-0.0 0.863 65.0 162.9 51.1 40.3 -7.3 -12.5 -29.2 5 0 A G - 0 0 17 1,-0.1 77,-0.3 75,-0.1 -1,-0.1 -0.282 41.4 -97.6 -82.6 168.8 -4.3 -12.2 -31.5 6 1 A G B -a 82 0A 24 75,-2.5 77,-2.9 1,-0.1 -1,-0.1 -0.222 52.4 -82.6 -72.2 174.7 -3.9 -10.3 -34.8 7 2 A S > - 0 0 59 75,-0.2 4,-2.0 1,-0.1 77,-0.2 -0.440 25.8-125.5 -80.2 153.8 -4.4 -12.1 -38.2 8 3 A L H > S+ 0 0 32 75,-0.4 4,-2.5 2,-0.2 5,-0.1 0.761 113.2 62.7 -67.9 -24.1 -1.6 -14.0 -39.9 9 4 A L H > S+ 0 0 102 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.931 104.9 46.1 -62.5 -45.4 -2.2 -11.8 -42.9 10 5 A E H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.930 109.9 55.3 -60.2 -45.2 -1.2 -8.9 -40.7 11 6 A L H X S+ 0 0 12 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.941 107.3 48.0 -52.8 -53.8 1.8 -10.9 -39.4 12 7 A Q H < S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.750 113.6 48.4 -65.3 -23.7 3.2 -11.6 -43.0 13 8 A K H < S+ 0 0 146 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.819 117.1 41.6 -76.5 -34.4 2.8 -7.8 -43.9 14 9 A K H < S+ 0 0 72 -4,-2.2 21,-3.0 -3,-0.3 22,-0.4 0.783 115.8 45.4 -87.0 -31.3 4.5 -6.6 -40.7 15 10 A Y E < -B 34 0A 8 -4,-2.6 2,-0.7 19,-0.2 19,-0.2 -0.913 62.4-144.5-123.5 143.3 7.4 -9.1 -40.5 16 11 A H E -B 33 0A 90 17,-2.8 17,-2.6 -2,-0.4 2,-0.3 -0.927 30.8-140.5-100.0 112.4 9.9 -10.6 -42.9 17 12 A L E +B 32 0A 54 -2,-0.7 15,-0.2 15,-0.2 2,-0.1 -0.581 28.3 169.9 -80.6 133.1 10.4 -14.2 -41.8 18 13 A K E - 0 0 71 13,-3.3 109,-0.1 -2,-0.3 -1,-0.1 -0.286 37.4 -26.4-122.0-152.5 13.9 -15.6 -41.9 19 14 A G E - 0 0 31 107,-0.2 12,-2.8 11,-0.2 -1,-0.3 -0.138 63.7 -96.4 -71.9 156.8 15.8 -18.7 -40.6 20 15 A A E +B 30 0A 58 10,-0.3 10,-0.3 1,-0.1 -1,-0.1 -0.369 28.8 179.7 -66.5 142.0 15.0 -21.1 -37.7 21 16 A I E S- 0 0 35 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.375 71.0 -9.1-119.7 -5.5 16.8 -20.5 -34.3 22 17 A G E -B 29 0A 33 7,-1.3 7,-2.8 2,-0.0 -1,-0.4 -0.966 57.2-130.8-174.1 168.3 15.1 -23.4 -32.6 23 18 A Q E -B 28 0A 164 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.999 20.9-172.3-132.1 131.2 12.3 -26.0 -32.7 24 19 A G - 0 0 32 3,-3.4 3,-0.3 -2,-0.4 5,-0.0 -0.386 45.9 -86.1-103.5-170.6 9.8 -26.7 -30.0 25 20 A S S S+ 0 0 99 1,-0.2 3,-0.1 -2,-0.1 21,-0.0 0.731 126.5 34.8 -67.8 -24.6 7.2 -29.5 -29.6 26 21 A Y S S- 0 0 43 1,-0.3 21,-2.4 19,-0.1 2,-0.3 0.409 127.7 -42.7-117.3 -1.3 4.6 -27.6 -31.7 27 22 A G - 0 0 26 -3,-0.3 -3,-3.4 19,-0.2 -1,-0.3 -0.962 69.1 -59.0 161.9-175.6 6.7 -25.8 -34.3 28 23 A V E -B 23 0A 56 -2,-0.3 17,-2.8 -5,-0.3 2,-0.5 -0.473 31.5-132.9 -90.9 163.2 9.8 -23.8 -35.0 29 24 A V E -BC 22 44A 29 -7,-2.8 -8,-3.1 15,-0.2 -7,-1.3 -0.991 32.8-167.2-110.4 123.8 11.1 -20.5 -33.7 30 25 A R E -BC 20 43A 82 13,-2.6 13,-3.0 -2,-0.5 -10,-0.3 -0.896 24.5-116.4-117.1 143.5 12.2 -18.2 -36.6 31 26 A V E - C 0 42A 0 -12,-2.8 -13,-3.3 -2,-0.4 2,-0.3 -0.505 40.1-173.8 -63.6 142.5 14.1 -15.0 -36.8 32 27 A A E -BC 17 41A 0 9,-2.3 9,-3.4 -15,-0.2 2,-0.5 -0.996 20.5-140.5-144.1 143.8 12.0 -12.2 -38.2 33 28 A I E -BC 16 40A 4 -17,-2.6 -17,-2.8 -2,-0.3 2,-0.5 -0.925 20.0-131.5-104.8 123.6 12.6 -8.6 -39.2 34 29 A E E > -B 15 0A 31 5,-3.1 4,-2.7 -2,-0.5 3,-0.3 -0.644 19.6-146.0 -70.5 119.9 9.9 -6.0 -38.3 35 30 A N T 4 S+ 0 0 69 -21,-3.0 -1,-0.2 -2,-0.5 -20,-0.1 0.889 90.6 40.2 -59.4 -43.8 9.5 -4.3 -41.7 36 31 A Q T 4 S+ 0 0 98 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.692 129.7 26.4 -82.7 -22.6 8.8 -0.7 -40.3 37 32 A T T 4 S- 0 0 78 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.598 90.8-132.6-112.2 -19.4 11.4 -0.7 -37.5 38 33 A R < + 0 0 160 -4,-2.7 -3,-0.1 1,-0.2 2,-0.1 0.514 51.3 156.6 66.4 8.9 14.0 -3.2 -38.7 39 34 A A - 0 0 26 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.6 -0.384 41.5-130.9 -60.2 138.7 13.9 -4.7 -35.2 40 35 A I E +C 33 0A 25 -7,-0.2 54,-0.7 -3,-0.1 -7,-0.2 -0.866 35.7 174.1 -99.3 120.6 15.0 -8.4 -35.2 41 36 A R E -CD 32 93A 49 -9,-3.4 -9,-2.3 -2,-0.6 2,-0.5 -0.671 33.0-123.4-119.5 168.0 12.6 -10.7 -33.3 42 37 A A E -CD 31 92A 6 50,-2.6 50,-3.4 -11,-0.2 2,-0.6 -0.971 23.6-160.3-107.7 130.6 12.0 -14.3 -32.6 43 38 A I E -CD 30 91A 1 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.6 -0.967 4.1-154.6-114.2 118.5 8.6 -15.6 -33.7 44 39 A K E -CD 29 90A 55 46,-2.6 46,-2.5 -2,-0.6 2,-0.5 -0.820 9.4-159.7 -94.0 119.2 7.5 -18.8 -32.1 45 40 A I E - D 0 89A 33 -17,-2.8 2,-0.4 -2,-0.6 -21,-0.2 -0.898 10.1-176.0-104.7 124.7 5.1 -20.7 -34.2 46 41 A M E - D 0 88A 4 42,-2.8 42,-2.5 -2,-0.5 2,-0.6 -0.986 22.9-134.6-124.9 129.8 2.8 -23.3 -32.6 47 42 A N E > - D 0 87A 23 -21,-2.4 4,-1.6 -2,-0.4 40,-0.2 -0.689 10.6-157.1 -82.6 117.2 0.4 -25.6 -34.3 48 43 A K H > S+ 0 0 7 38,-2.8 4,-2.2 -2,-0.6 -1,-0.2 0.792 90.7 56.4 -65.1 -32.8 -2.9 -25.6 -32.3 49 44 A N H > S+ 0 0 81 37,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.906 107.8 47.4 -67.0 -41.6 -4.0 -29.0 -33.6 50 45 A K H 4 S+ 0 0 105 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.845 110.4 53.8 -67.9 -36.1 -0.8 -30.7 -32.3 51 46 A I H < S+ 0 0 7 -4,-1.6 5,-0.4 1,-0.2 -2,-0.2 0.970 108.8 47.6 -58.6 -56.7 -1.3 -29.0 -29.0 52 47 A R H < 0 0 134 -4,-2.2 -1,-0.2 4,-0.1 -2,-0.2 0.762 360.0 360.0 -57.0 -31.8 -4.8 -30.3 -28.5 53 48 A Q < 0 0 117 -4,-1.4 -4,-0.0 -5,-0.1 0, 0.0 -0.616 360.0 360.0 -77.8 360.0 -3.8 -33.8 -29.5 54 ! 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 55 52 A K >> 0 0 108 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -69.4 -3.2 -30.3 -21.3 56 53 A D H 3> + 0 0 47 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.547 360.0 83.7 -69.9 -7.8 -0.5 -27.9 -22.5 57 54 A V H 3> S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.943 92.4 41.5 -61.0 -52.6 -3.4 -25.6 -23.5 58 55 A E H <> S+ 0 0 66 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.903 115.5 51.5 -60.1 -44.8 -3.7 -24.1 -19.9 59 56 A R H X S+ 0 0 115 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.871 111.2 48.0 -61.1 -40.2 0.1 -23.9 -19.6 60 57 A I H X S+ 0 0 11 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.933 110.7 48.7 -69.4 -48.0 0.4 -22.1 -23.0 61 58 A K H X S+ 0 0 96 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.896 115.4 47.2 -56.3 -40.1 -2.4 -19.6 -22.2 62 59 A T H X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.932 111.6 48.8 -66.6 -49.2 -0.6 -19.0 -18.9 63 60 A E H X S+ 0 0 16 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.930 116.0 44.0 -55.8 -48.4 2.9 -18.6 -20.4 64 61 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.958 113.9 48.8 -64.4 -52.2 1.6 -16.2 -23.0 65 62 A R H X S+ 0 0 82 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.881 117.4 42.9 -55.9 -42.1 -0.5 -14.1 -20.6 66 63 A L H >X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 3,-0.8 0.964 113.2 48.1 -69.8 -53.0 2.4 -13.9 -18.2 67 64 A M H 3< S+ 0 0 2 -4,-2.8 11,-1.0 1,-0.3 -2,-0.2 0.839 108.6 57.6 -59.4 -32.3 5.2 -13.1 -20.6 68 65 A K H 3< S+ 0 0 87 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.861 112.0 39.8 -63.3 -37.7 3.1 -10.5 -22.2 69 66 A K H << S+ 0 0 99 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.2 0.604 95.4 98.0 -91.2 -14.1 2.7 -8.6 -19.0 70 67 A L < - 0 0 1 -4,-1.4 2,-0.4 6,-0.1 8,-0.3 -0.578 46.1-176.1 -83.3 139.3 6.3 -9.0 -17.6 71 68 A H + 0 0 112 -2,-0.3 5,-0.1 6,-0.1 -3,-0.0 -0.849 29.1 125.8-136.8 95.7 8.8 -6.2 -18.1 72 69 A H > - 0 0 32 3,-0.5 3,-1.9 -2,-0.4 92,-0.0 -0.981 60.1-126.4-153.4 139.8 12.3 -7.0 -16.9 73 70 A P T 3 S+ 0 0 76 0, 0.0 4,-0.1 0, 0.0 87,-0.0 0.662 111.8 50.2 -67.0 -13.8 15.7 -6.9 -18.6 74 71 A N T 3 S+ 0 0 8 120,-0.1 121,-2.8 86,-0.1 2,-0.4 0.209 100.0 73.7-107.8 16.0 16.4 -10.6 -17.7 75 72 A I B < S-f 195 0B 1 -3,-1.9 -3,-0.5 119,-0.3 121,-0.2 -0.995 89.0-115.3-125.6 127.8 13.1 -11.9 -19.0 76 73 A A - 0 0 2 119,-2.4 2,-0.2 -2,-0.4 -6,-0.1 -0.378 35.5-125.8 -62.0 128.5 12.5 -12.2 -22.7 77 74 A R - 0 0 47 -2,-0.1 16,-2.4 -4,-0.1 2,-0.6 -0.520 10.2-149.2 -75.4 143.2 9.6 -9.9 -23.7 78 75 A L E + E 0 92A 2 -11,-1.0 14,-0.2 -8,-0.3 3,-0.1 -0.972 22.1 173.5-108.0 116.0 6.6 -11.1 -25.6 79 76 A Y E + 0 0 76 12,-2.6 2,-0.3 -2,-0.6 13,-0.2 0.907 54.0 3.4 -89.7 -48.9 5.4 -8.2 -27.8 80 77 A E E - E 0 91A 52 11,-1.3 11,-2.9 2,-0.0 2,-0.4 -0.955 52.9-146.5-144.6 156.0 2.6 -9.4 -30.0 81 78 A V E - E 0 90A 10 -2,-0.3 -75,-2.5 9,-0.2 2,-0.3 -0.994 14.6-178.3-128.1 133.8 0.4 -12.4 -30.7 82 79 A Y E +aE 6 89A 7 7,-2.8 7,-3.5 -2,-0.4 2,-0.3 -0.959 13.2 164.6-128.5 147.4 -1.0 -13.5 -34.0 83 80 A E E - E 0 88A 12 -77,-2.9 -75,-0.4 -2,-0.3 2,-0.2 -0.999 22.3-176.6-157.9 157.3 -3.2 -16.4 -34.7 84 81 A D - 0 0 68 3,-2.1 -79,-0.1 -2,-0.3 -2,-0.0 -0.747 59.9 -73.6-133.5-168.3 -5.6 -18.3 -37.0 85 82 A E S S+ 0 0 169 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.731 131.9 30.4 -59.9 -22.0 -7.6 -21.6 -36.5 86 83 A Q S S+ 0 0 99 1,-0.2 -38,-2.8 -38,-0.1 -37,-0.6 0.696 116.4 47.9-113.2 -21.4 -4.4 -23.6 -36.8 87 84 A Y E -D 47 0A 88 -40,-0.2 -3,-2.1 -39,-0.1 2,-0.5 -0.942 47.1-160.4-131.9 144.5 -1.5 -21.5 -35.5 88 85 A I E -DE 46 83A 0 -42,-2.5 -42,-2.8 -2,-0.4 2,-0.5 -0.984 18.9-166.5-109.7 131.3 -0.4 -19.3 -32.6 89 86 A C E -DE 45 82A 6 -7,-3.5 -7,-2.8 -2,-0.5 2,-0.6 -0.979 1.4-163.7-123.0 120.5 2.5 -17.0 -33.5 90 87 A L E -DE 44 81A 4 -46,-2.5 -46,-2.6 -2,-0.5 2,-0.8 -0.911 7.2-153.5-108.6 118.2 4.3 -15.3 -30.6 91 88 A V E +DE 43 80A 0 -11,-2.9 -12,-2.6 -2,-0.6 -11,-1.3 -0.821 32.9 162.8 -93.1 113.1 6.5 -12.3 -31.5 92 89 A M E -DE 42 78A 25 -50,-3.4 -50,-2.6 -2,-0.8 -14,-0.2 -0.767 45.5 -75.3-127.8 170.9 9.2 -12.1 -28.8 93 90 A E E -D 41 0A 37 -16,-2.4 2,-0.4 -2,-0.2 -52,-0.1 -0.452 54.0-125.0 -60.7 131.1 12.6 -10.6 -28.0 94 91 A L - 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0 0 25 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.335 38.1-109.2 -58.9 152.3 35.5 -19.2 -2.1 282 287 A P H > S+ 0 0 112 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.887 120.2 51.3 -52.8 -39.7 34.0 -18.9 1.4 283 288 A L H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 27,-0.2 0.896 110.0 46.8 -65.1 -44.2 31.3 -16.6 -0.0 284 289 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.934 112.6 51.1 -61.9 -47.5 30.2 -19.0 -2.8 285 290 A R H X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.907 112.6 46.9 -53.1 -46.8 30.2 -21.9 -0.3 286 291 A D H X S+ 0 0 72 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.864 111.1 49.6 -68.3 -39.6 28.0 -19.8 2.0 287 292 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 3,-0.3 0.951 111.1 50.8 -64.0 -47.1 25.6 -18.7 -0.8 288 293 A L H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-0.7 0.916 109.3 50.5 -53.1 -48.1 25.2 -22.3 -1.9 289 294 A S H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 110.5 50.1 -64.0 -31.3 24.5 -23.5 1.6 290 295 A N H 3< S+ 0 0 35 -4,-1.6 10,-2.5 -3,-0.3 3,-0.3 0.666 114.7 42.3 -82.9 -17.3 21.8 -20.8 2.0 291 296 A L H << S+ 0 0 0 -4,-1.3 -51,-0.2 -3,-0.7 -2,-0.2 0.795 114.6 49.7 -90.9 -36.6 20.0 -21.7 -1.2 292 297 A L S < S+ 0 0 8 -4,-2.7 2,-0.6 -5,-0.2 -22,-0.3 -0.221 79.0 134.5 -98.2 43.4 20.2 -25.5 -0.8 293 298 A N - 0 0 34 -3,-0.3 6,-0.2 1,-0.1 -3,-0.1 -0.840 48.5-153.8 -92.2 118.2 18.9 -25.3 2.7 294 299 A R S S+ 0 0 88 -2,-0.6 2,-0.8 -24,-0.1 -1,-0.1 0.738 79.1 86.9 -63.8 -24.2 16.2 -28.0 3.2 295 300 A N > - 0 0 65 1,-0.2 4,-2.0 2,-0.0 3,-0.4 -0.716 67.9-162.4 -78.9 108.8 14.7 -25.8 5.9 296 301 A V T 4 S+ 0 0 48 -2,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.883 85.4 56.9 -65.7 -40.0 12.3 -23.6 3.9 297 302 A D T 4 S+ 0 0 147 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.861 115.1 38.4 -57.3 -37.8 12.0 -21.0 6.6 298 303 A E T 4 S+ 0 0 114 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.719 92.7 104.0 -87.2 -28.0 15.8 -20.5 6.7 299 304 A R S < S- 0 0 2 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.265 79.0-103.8 -56.2 141.7 16.5 -20.8 3.0 300 305 A F - 0 0 18 -10,-2.5 2,-0.2 -13,-0.2 -1,-0.1 -0.284 26.2-146.9 -58.7 144.8 17.2 -17.5 1.2 301 306 A D > - 0 0 57 -65,-0.1 4,-2.0 -66,-0.1 5,-0.2 -0.538 42.3 -88.5 -95.2-180.0 14.6 -15.9 -1.1 302 307 A A H > S+ 0 0 2 1,-0.2 4,-2.3 -2,-0.2 -136,-0.1 0.866 126.8 55.9 -58.8 -39.1 15.8 -14.0 -4.1 303 308 A M H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 108.1 46.3 -59.3 -48.2 16.2 -10.7 -2.2 304 309 A R H > S+ 0 0 128 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.880 111.4 52.8 -66.1 -35.5 18.5 -12.2 0.4 305 310 A A H < S+ 0 0 0 -4,-2.0 6,-0.3 1,-0.2 3,-0.3 0.910 109.0 50.2 -62.1 -40.9 20.5 -13.8 -2.4 306 311 A L H < S+ 0 0 41 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 111.8 47.2 -67.5 -32.6 20.8 -10.4 -4.1 307 312 A Q H < S+ 0 0 124 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.672 87.4 109.4 -80.7 -21.8 22.1 -8.8 -0.9 308 313 A H S >X S- 0 0 14 -4,-1.3 4,-2.9 -3,-0.3 3,-1.6 -0.312 78.5-122.9 -60.3 135.2 24.6 -11.6 -0.2 309 314 A P H 3> S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.737 108.0 67.4 -56.3 -25.9 28.2 -10.4 -0.7 310 315 A W H 34 S+ 0 0 7 -27,-0.2 -26,-0.1 1,-0.2 4,-0.1 0.895 119.3 25.3 -60.3 -33.4 29.0 -13.0 -3.3 311 316 A I H <4 S+ 0 0 18 -3,-1.6 3,-0.3 -6,-0.3 -1,-0.2 0.851 132.9 36.6 -89.2 -43.6 26.5 -11.1 -5.5 312 317 A S H >< S+ 0 0 25 -4,-2.9 3,-2.7 -7,-0.2 -2,-0.2 0.545 80.0 103.9 -93.6 -7.6 26.7 -7.6 -4.0 313 318 A Q T 3< S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.645 83.7 47.2 -62.6 -21.3 30.3 -7.0 -3.0 314 319 A F T 3 S+ 0 0 164 -3,-0.3 -1,-0.3 -5,-0.1 3,-0.2 0.343 105.0 77.3 -98.3 9.3 31.3 -4.7 -5.9 315 320 A S S < S+ 0 0 50 -3,-2.7 -3,-0.0 1,-0.2 -4,-0.0 -0.528 72.7 44.8-107.9 173.7 28.1 -2.6 -5.4 316 321 A D S S+ 0 0 148 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.829 75.5 160.9 62.7 38.3 27.2 0.2 -2.9 317 322 A K - 0 0 141 -3,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.529 31.9-160.0 -91.8 157.6 30.6 2.0 -3.2 318 323 A I S S+ 0 0 154 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.887 71.8 41.8 -98.9 -70.0 31.3 5.6 -2.1 319 324 A Y S S- 0 0 182 1,-0.1 2,-0.9 2,-0.0 -1,-0.2 -0.588 87.7-112.4 -83.7 143.5 34.5 6.8 -3.8 320 325 A K + 0 0 178 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.660 35.4 179.3 -77.6 106.5 35.1 6.0 -7.5 321 326 A M 0 0 174 -2,-0.9 -1,-0.1 1,-0.2 -2,-0.0 -0.204 360.0 360.0-105.7 42.4 38.2 3.7 -7.4 322 327 A S 0 0 135 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.279 360.0 360.0-142.2 360.0 38.4 3.1 -11.1