==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-AUG-09 2WQN . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.W.RICHARDS,R.BAYLISS . 259 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 15.1 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 . 1 0.4 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 0 0 1 2 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 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 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 21 A A 0 0 124 0, 0.0 11,-0.1 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 136.1 -6.6 -56.6 -34.7 2 22 A L - 0 0 78 1,-0.1 11,-0.1 11,-0.1 9,-0.0 -0.112 360.0-166.1 -54.3 138.1 -5.4 -53.9 -32.4 3 23 A R > - 0 0 115 4,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.737 4.7-176.5-130.6 85.8 -1.7 -53.0 -32.4 4 24 A P G > S+ 0 0 91 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.742 81.7 57.1 -56.1 -34.8 -0.9 -50.9 -29.2 5 25 A D G 3 S+ 0 0 130 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.681 97.7 66.4 -69.2 -18.6 2.8 -50.3 -30.1 6 26 A M G X S- 0 0 51 -3,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.497 77.4-174.1 -86.3 -4.2 1.7 -48.8 -33.4 7 27 A G T < - 0 0 24 -3,-1.0 3,-0.4 1,-0.3 -1,-0.2 -0.154 69.3 -18.4 46.3-134.1 -0.1 -45.6 -32.0 8 28 A Y T 3 S+ 0 0 38 1,-0.2 -1,-0.3 70,-0.2 71,-0.1 0.336 120.1 89.6 -83.1 8.0 -1.8 -43.6 -34.8 9 29 A N S < S+ 0 0 67 -3,-2.4 2,-0.3 70,-0.1 -1,-0.2 0.091 77.1 58.6 -99.9 22.8 0.2 -45.3 -37.6 10 30 A T S > S- 0 0 3 -3,-0.4 3,-1.4 1,-0.1 -7,-0.1 -0.987 70.0-135.6-151.2 142.7 -1.9 -48.3 -38.4 11 31 A L G > S+ 0 0 24 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.817 101.2 71.2 -66.1 -31.4 -5.5 -48.8 -39.6 12 32 A A G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -11,-0.1 -3,-0.0 0.717 92.5 58.9 -56.6 -23.2 -6.0 -51.6 -37.1 13 33 A N G < S+ 0 0 0 -3,-1.4 21,-3.0 -11,-0.1 22,-0.5 0.375 100.5 69.0 -90.2 5.0 -6.0 -49.0 -34.4 14 34 A F E < -A 33 0A 13 -3,-2.2 2,-0.5 19,-0.2 19,-0.2 -0.958 64.2-150.8-124.5 143.8 -8.9 -47.0 -35.8 15 35 A R E -A 32 0A 158 17,-2.1 17,-1.8 -2,-0.4 2,-0.4 -0.963 23.1-134.3-107.1 121.9 -12.6 -47.7 -36.3 16 36 A I E +A 31 0A 70 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.595 26.3 175.5 -74.0 127.0 -14.2 -46.0 -39.3 17 37 A E E - 0 0 97 13,-3.0 2,-0.3 -2,-0.4 14,-0.2 0.849 58.1 -16.1 -99.5 -42.0 -17.5 -44.3 -38.4 18 38 A K E -A 30 0A 124 12,-1.5 12,-3.4 0, 0.0 2,-0.6 -0.973 55.4-112.2-163.9 143.6 -18.6 -42.5 -41.6 19 39 A K E +A 29 0A 94 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.738 39.3 170.5 -73.4 121.6 -17.4 -41.2 -44.9 20 40 A I E + 0 0 67 8,-2.6 2,-0.3 -2,-0.6 9,-0.2 0.522 55.3 22.5-114.6 -10.1 -17.6 -37.5 -44.4 21 41 A G E -A 28 0A 26 7,-2.0 7,-2.5 2,-0.0 2,-0.4 -0.998 50.5-153.7-156.4 151.7 -15.9 -36.2 -47.6 22 42 A R E -A 27 0A 85 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.992 23.9-172.3-125.4 123.7 -15.0 -36.9 -51.1 23 43 A G - 0 0 42 3,-3.3 -2,-0.0 -2,-0.4 5,-0.0 -0.518 38.0-110.8-105.6 175.8 -12.0 -35.1 -52.6 24 44 A Q S S+ 0 0 119 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.841 121.4 17.7 -71.2 -33.4 -10.4 -34.9 -56.0 25 45 A F S S+ 0 0 78 1,-0.0 21,-0.6 20,-0.0 2,-0.3 0.534 130.5 32.7-113.3 -11.4 -7.5 -36.9 -54.8 26 46 A S E - B 0 45A 17 19,-0.2 -3,-3.3 20,-0.1 2,-0.4 -0.865 60.0-131.6-142.5 168.3 -8.8 -38.5 -51.6 27 47 A E E -AB 22 44A 84 17,-1.4 17,-2.0 -2,-0.3 2,-0.5 -1.000 29.6-147.9-124.6 132.1 -11.7 -39.9 -49.7 28 48 A V E -AB 21 43A 25 -7,-2.5 -8,-2.6 -2,-0.4 -7,-2.0 -0.863 15.0-175.5-113.3 129.8 -12.2 -38.6 -46.1 29 49 A Y E -AB 19 42A 45 13,-2.8 13,-2.8 -2,-0.5 2,-0.5 -0.837 25.4-129.1-119.6 151.9 -13.6 -40.5 -43.1 30 50 A R E +AB 18 41A 66 -12,-3.4 -13,-3.0 -2,-0.3 -12,-1.5 -0.873 44.8 159.4 -90.6 134.5 -14.6 -39.8 -39.5 31 51 A A E -AB 16 40A 0 9,-2.8 9,-3.2 -2,-0.5 2,-0.4 -0.923 34.3-126.5-148.1 170.9 -13.0 -42.3 -37.2 32 52 A A E -AB 15 39A 15 -17,-1.8 -17,-2.1 -2,-0.3 2,-0.7 -0.983 23.0-122.9-124.5 135.7 -11.9 -43.0 -33.6 33 53 A C E >> -A 14 0A 0 5,-3.0 4,-2.6 -2,-0.4 3,-0.7 -0.686 20.3-152.2 -71.0 116.6 -8.5 -44.0 -32.3 34 54 A L T 34 S+ 0 0 72 -21,-3.0 -1,-0.2 -2,-0.7 -20,-0.1 0.682 88.9 63.1 -66.8 -17.6 -9.4 -47.2 -30.5 35 55 A L T 34 S+ 0 0 72 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.827 127.2 2.7 -77.0 -34.6 -6.4 -46.6 -28.1 36 56 A D T <4 S- 0 0 87 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.348 93.3-114.6-137.4 1.0 -7.6 -43.4 -26.5 37 57 A G < + 0 0 56 -4,-2.6 -3,-0.1 1,-0.2 -2,-0.0 0.502 60.4 153.1 76.0 3.4 -11.1 -42.7 -28.0 38 58 A V - 0 0 43 -5,-0.3 -5,-3.0 -6,-0.1 -1,-0.2 -0.471 41.8-130.6 -67.6 130.2 -9.9 -39.5 -29.8 39 59 A P E +B 32 0A 70 0, 0.0 54,-0.7 0, 0.0 2,-0.3 -0.603 34.4 173.1 -82.9 146.7 -11.9 -38.8 -32.9 40 60 A V E -BC 31 92A 0 -9,-3.2 -9,-2.8 -2,-0.2 2,-0.5 -0.962 35.7-114.3-147.7 160.4 -10.0 -38.0 -36.1 41 61 A A E -BC 30 91A 9 50,-2.6 50,-3.2 -2,-0.3 2,-0.5 -0.867 30.9-159.2 -94.2 134.2 -10.4 -37.4 -39.8 42 62 A L E -BC 29 90A 1 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.4 -0.961 3.7-164.5-118.9 116.2 -8.8 -40.1 -41.9 43 63 A K E -BC 28 89A 51 46,-2.7 46,-1.9 -2,-0.5 2,-0.5 -0.813 1.4-162.3 -95.6 137.9 -7.8 -39.5 -45.5 44 64 A K E -BC 27 88A 42 -17,-2.0 -17,-1.4 -2,-0.4 2,-0.4 -0.983 9.8-174.8-121.8 123.9 -7.1 -42.3 -47.9 45 65 A V E -BC 26 87A 20 42,-2.3 42,-2.4 -2,-0.5 2,-1.3 -0.959 28.0-143.7-123.3 133.3 -5.2 -41.5 -51.1 46 66 A Q > + 0 0 85 -21,-0.6 3,-3.5 -2,-0.4 4,-0.5 -0.282 36.9 162.6 -85.1 50.3 -4.4 -43.9 -54.0 47 67 A I T 3> + 0 0 13 -2,-1.3 4,-1.9 1,-0.3 3,-0.3 0.628 68.8 58.7 -51.3 -18.1 -1.0 -42.2 -54.5 48 68 A F T 34 S+ 0 0 80 37,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.714 107.6 46.3 -82.7 -20.6 0.3 -45.1 -56.5 49 69 A D T <4 S+ 0 0 125 -3,-3.5 -2,-0.2 1,-0.1 -1,-0.2 0.336 128.8 24.0 -99.2 3.5 -2.5 -44.6 -59.1 50 70 A L T 4 S+ 0 0 90 -4,-0.5 2,-0.2 -3,-0.3 -2,-0.2 0.504 113.3 59.4-142.6 -20.9 -2.0 -40.9 -59.3 51 71 A M < - 0 0 48 -4,-1.9 2,-0.3 -5,-0.3 -1,-0.1 -0.693 61.7-140.2-115.3 168.5 1.6 -40.0 -58.3 52 72 A D > - 0 0 94 -2,-0.2 4,-2.7 -3,-0.1 5,-0.3 -0.827 40.8 -89.1-122.7 163.9 5.1 -40.8 -59.5 53 73 A A H > S+ 0 0 70 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.858 127.1 46.4 -34.7 -58.4 8.3 -41.5 -57.6 54 74 A K H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.919 112.8 47.7 -56.1 -52.5 9.2 -37.8 -57.5 55 75 A A H > S+ 0 0 30 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.923 108.8 54.9 -56.0 -45.5 5.8 -36.6 -56.4 56 76 A R H X S+ 0 0 69 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.834 108.2 50.1 -59.7 -34.0 5.6 -39.2 -53.6 57 77 A A H X S+ 0 0 57 -4,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.966 113.9 43.7 -65.4 -52.9 8.9 -37.9 -52.3 58 78 A D H X S+ 0 0 117 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.924 117.5 45.0 -58.1 -50.4 7.8 -34.2 -52.4 59 79 A C H X S+ 0 0 46 -4,-3.4 4,-2.9 2,-0.2 -1,-0.2 0.950 117.2 44.1 -60.1 -50.7 4.3 -35.0 -50.9 60 80 A I H X S+ 0 0 82 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.858 112.8 50.8 -67.8 -38.2 5.7 -37.3 -48.2 61 81 A K H X S+ 0 0 55 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.914 113.1 48.0 -61.3 -42.5 8.6 -35.0 -47.3 62 82 A E H X S+ 0 0 51 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.935 110.2 50.2 -65.1 -46.2 6.0 -32.2 -47.0 63 83 A I H X S+ 0 0 15 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.904 109.0 53.1 -59.0 -40.5 3.6 -34.3 -44.8 64 84 A D H X S+ 0 0 78 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.871 108.2 49.3 -65.6 -36.6 6.5 -35.2 -42.5 65 85 A L H >< S+ 0 0 80 -4,-1.8 3,-1.1 1,-0.2 4,-0.4 0.924 109.9 54.0 -61.5 -43.9 7.4 -31.5 -42.1 66 86 A L H >< S+ 0 0 5 -4,-2.4 3,-1.1 1,-0.2 11,-0.4 0.789 97.3 62.6 -62.5 -32.5 3.7 -30.9 -41.3 67 87 A K H 3< S+ 0 0 59 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.700 95.1 62.8 -69.7 -19.3 3.5 -33.5 -38.6 68 88 A Q T << S+ 0 0 131 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.703 81.4 104.2 -75.6 -22.0 6.0 -31.5 -36.6 69 89 A L < + 0 0 6 -3,-1.1 8,-0.3 -4,-0.4 2,-0.2 -0.296 46.1 177.4 -61.4 146.7 3.6 -28.6 -36.4 70 90 A N + 0 0 106 6,-0.1 5,-0.1 61,-0.0 6,-0.0 -0.733 21.0 122.9-159.3 99.1 1.9 -28.1 -33.0 71 91 A H > - 0 0 39 3,-0.4 3,-1.5 -2,-0.2 57,-0.0 -0.972 59.9-120.6-162.6 142.3 -0.5 -25.2 -32.3 72 92 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 56,-0.1 0.622 112.3 48.3 -61.8 -19.7 -4.1 -24.8 -31.2 73 93 A N T 3 S+ 0 0 17 83,-0.1 84,-3.6 2,-0.1 2,-0.4 0.269 99.6 76.8-109.6 13.6 -5.1 -22.9 -34.3 74 94 A V B < S-e 157 0B 9 -3,-1.5 -3,-0.4 82,-0.3 84,-0.2 -0.983 90.3-107.6-124.2 130.7 -3.6 -25.3 -36.8 75 95 A I - 0 0 2 82,-2.3 2,-0.2 -2,-0.4 -6,-0.1 -0.363 42.3-122.1 -56.9 126.0 -5.1 -28.7 -37.8 76 96 A K - 0 0 52 -2,-0.1 16,-2.4 -4,-0.1 2,-0.8 -0.533 12.1-148.9 -76.8 134.7 -3.0 -31.4 -36.2 77 97 A Y E +D 91 0A 9 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.866 20.0 176.6-101.0 97.3 -1.3 -34.0 -38.4 78 98 A Y E - 0 0 78 12,-1.3 2,-0.3 -2,-0.8 -70,-0.2 0.847 58.7 -23.9 -69.4 -37.7 -1.2 -37.0 -36.0 79 99 A A E -D 90 0A 1 11,-1.4 11,-2.7 -71,-0.1 2,-0.3 -0.989 45.3-161.8-168.7 159.5 0.2 -39.5 -38.5 80 100 A S E +D 89 0A 14 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.955 24.3 153.7-151.9 146.9 0.7 -40.5 -42.1 81 101 A F E -D 88 0A 27 7,-1.6 7,-3.0 -2,-0.3 2,-0.5 -0.970 42.7-106.2-170.8 151.9 1.7 -44.0 -43.4 82 102 A I E +D 87 0A 80 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.784 48.9 150.4 -89.6 126.5 1.5 -46.3 -46.4 83 103 A E E > +D 86 0A 46 3,-2.6 3,-0.5 -2,-0.5 -2,-0.1 -0.914 62.4 8.6-159.1 134.1 -1.0 -49.1 -46.0 84 104 A D T 3 S- 0 0 115 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.833 130.3 -61.5 64.8 33.6 -3.1 -51.2 -48.4 85 105 A N T 3 S+ 0 0 97 1,-0.2 -37,-0.5 -38,-0.0 2,-0.3 0.769 118.3 108.1 63.5 27.5 -1.2 -49.4 -51.2 86 106 A E E < S- D 0 83A 29 -3,-0.5 -3,-2.6 -40,-0.1 2,-0.6 -0.940 73.8-120.5-131.7 152.8 -2.6 -46.1 -49.9 87 107 A L E -CD 45 82A 13 -42,-2.4 -42,-2.3 -2,-0.3 2,-0.6 -0.858 31.7-161.7 -85.7 121.0 -1.3 -43.0 -48.2 88 108 A N E -CD 44 81A 0 -7,-3.0 -7,-1.6 -2,-0.6 2,-0.5 -0.948 6.0-170.1-106.7 121.1 -3.3 -42.7 -44.9 89 109 A I E -CD 43 80A 13 -46,-1.9 -46,-2.7 -2,-0.6 2,-0.6 -0.951 7.3-157.1-111.4 124.0 -3.3 -39.3 -43.3 90 110 A V E +CD 42 79A 0 -11,-2.7 -11,-1.4 -2,-0.5 -12,-1.3 -0.900 22.4 176.2-104.2 122.7 -4.7 -39.0 -39.8 91 111 A L E -CD 41 77A 4 -50,-3.2 -50,-2.6 -2,-0.6 -14,-0.2 -0.850 39.4 -87.2-126.5 156.4 -5.8 -35.5 -39.0 92 112 A E E -C 40 0A 38 -16,-2.4 2,-0.4 -2,-0.3 -52,-0.2 -0.430 52.7-114.9 -55.1 129.6 -7.5 -33.6 -36.2 93 113 A L - 0 0 36 -54,-0.7 2,-0.5 -2,-0.1 -1,-0.1 -0.621 32.9-176.7 -73.3 125.6 -11.2 -33.8 -36.8 94 114 A A + 0 0 25 -2,-0.4 3,-0.1 1,-0.1 56,-0.1 -0.934 20.6 153.2-124.4 103.5 -12.7 -30.3 -37.6 95 115 A D + 0 0 91 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.496 43.0 74.4-118.3 -10.0 -16.3 -31.0 -37.9 96 116 A A S S- 0 0 49 1,-0.3 2,-0.3 53,-0.2 -1,-0.1 0.525 98.8 -85.3 -96.6 -7.7 -18.5 -28.0 -37.1 97 117 A G - 0 0 12 -3,-0.1 52,-2.0 48,-0.1 -1,-0.3 -0.858 40.0-113.2 131.0-170.6 -18.1 -25.8 -40.1 98 118 A D B > -F 148 0B 31 50,-0.3 4,-1.9 -2,-0.3 3,-0.3 -0.874 36.5 -82.1-155.7-177.7 -15.7 -23.1 -41.5 99 119 A L H > S+ 0 0 3 48,-2.1 4,-2.4 45,-1.1 46,-0.2 0.824 119.6 61.6 -67.4 -35.0 -15.3 -19.4 -42.4 100 120 A S H > S+ 0 0 27 44,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.897 109.1 42.1 -58.7 -42.8 -16.9 -19.9 -45.8 101 121 A R H > S+ 0 0 134 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.861 109.5 56.8 -73.9 -37.2 -20.1 -20.9 -44.1 102 122 A M H X S+ 0 0 25 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.927 107.9 49.9 -57.1 -41.7 -19.9 -18.2 -41.4 103 123 A I H X S+ 0 0 9 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.830 107.7 53.5 -67.9 -32.7 -19.7 -15.7 -44.3 104 124 A K H X S+ 0 0 108 -4,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.898 104.8 55.4 -65.8 -42.8 -22.8 -17.3 -45.9 105 125 A H H X S+ 0 0 113 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.956 110.0 44.8 -53.0 -52.8 -24.7 -16.9 -42.6 106 126 A F H <>S+ 0 0 36 -4,-1.9 5,-2.9 1,-0.2 4,-0.4 0.893 112.8 50.7 -63.5 -40.9 -24.0 -13.1 -42.6 107 127 A K H ><5S+ 0 0 101 -4,-2.0 3,-1.1 3,-0.2 -1,-0.2 0.925 110.9 50.0 -58.5 -45.7 -24.9 -12.8 -46.3 108 128 A K H 3<5S+ 0 0 147 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.842 112.1 46.2 -64.0 -36.0 -28.1 -14.7 -45.6 109 129 A Q T 3<5S- 0 0 133 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.480 111.6-125.7 -84.6 -1.1 -29.0 -12.4 -42.7 110 130 A K T < 5 + 0 0 184 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.917 69.1 125.8 53.7 47.5 -28.0 -9.4 -44.9 111 131 A R < - 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0 0 100 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.0 -0.341 62.6 -74.1 -67.3 165.0 6.7 -17.9 -60.0 175 212 A G - 0 0 58 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.331 43.7-121.1 -63.6 140.2 7.5 -19.9 -56.8 176 213 A Y + 0 0 40 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.612 47.2 160.4 -72.9 142.3 5.0 -19.8 -54.0 177 214 A N >> - 0 0 69 -2,-0.3 3,-1.0 1,-0.0 4,-1.0 -0.858 54.3 -71.5-151.7-171.1 6.7 -18.4 -50.9 178 215 A F H >> S+ 0 0 49 1,-0.3 4,-1.4 -2,-0.3 3,-0.6 0.878 125.2 56.3 -61.6 -40.0 5.9 -16.9 -47.5 179 216 A K H 3> S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.780 100.0 62.9 -62.3 -24.9 4.8 -13.5 -48.9 180 217 A S H <> S+ 0 0 0 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.883 99.6 51.9 -66.9 -40.0 2.2 -15.5 -51.0 181 218 A D H - 0 0 23 -2,-0.3 3,-1.3 1,-0.1 -9,-0.1 -0.329 37.8-120.7 -59.6 147.7 -13.2 -11.7 -52.6 198 235 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 0.816 114.0 37.6 -59.4 -32.1 -11.5 -8.4 -53.4 199 236 A F T 3 0 0 21 17,-0.1 12,-0.1 -12,-0.0 11,-0.1 -0.132 360.0 360.0-115.0 36.2 -11.2 -9.5 -57.0 200 237 A Y < 0 0 192 -3,-1.3 -4,-0.0 7,-0.0 0, 0.0 -0.326 360.0 360.0 -57.9 360.0 -14.5 -11.3 -57.4 201 ! 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 0.0 202 241 A M 0 0 131 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.8 -13.5 -13.6 -64.7 203 242 A N > - 0 0 93 1,-0.0 4,-1.9 0, 0.0 5,-0.1 -0.367 360.0 -92.8-106.9-173.8 -10.2 -15.1 -66.0 204 243 A L H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.759 119.8 52.3 -75.7 -28.2 -6.5 -14.9 -65.1 205 244 A Y H > S+ 0 0 190 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 114.3 41.9 -71.6 -48.9 -5.6 -12.1 -67.5 206 245 A S H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.846 114.8 52.8 -65.6 -34.4 -8.4 -9.9 -66.2 207 246 A L H X S+ 0 0 23 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.935 108.6 49.5 -64.5 -46.6 -7.5 -10.9 -62.7 208 247 A C H X S+ 0 0 21 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 111.0 50.9 -56.4 -45.2 -3.9 -10.0 -63.3 209 248 A K H X S+ 0 0 41 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.967 111.2 47.1 -54.6 -58.8 -5.1 -6.6 -64.7 210 249 A K H ><>S+ 0 0 53 -4,-2.7 5,-2.2 1,-0.2 3,-0.8 0.912 112.4 50.4 -47.7 -50.8 -7.3 -5.9 -61.6 211 250 A I H ><5S+ 0 0 1 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.887 107.6 51.4 -61.6 -42.4 -4.4 -6.9 -59.3 212 251 A E H 3<5S+ 0 0 105 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.704 119.6 38.3 -69.1 -17.3 -1.8 -4.6 -60.9 213 252 A Q T <<5S- 0 0 145 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.223 105.2-122.1-117.5 12.6 -4.3 -1.8 -60.6 214 253 A C T < 5 + 0 0 64 -3,-1.1 2,-2.6 -4,-0.3 -3,-0.2 0.819 45.0 172.7 46.8 34.6 -5.8 -2.5 -57.2 215 254 A D < + 0 0 92 -5,-2.2 -1,-0.2 -6,-0.2 -4,-0.1 -0.451 30.8 119.3 -71.3 68.8 -9.2 -2.6 -59.0 216 255 A Y S S- 0 0 37 -2,-2.6 -17,-0.1 -3,-0.2 -19,-0.0 -0.997 71.3-102.4-131.4 143.8 -11.1 -3.8 -55.9 217 256 A P - 0 0 77 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.331 41.3-111.5 -66.8 139.7 -13.9 -2.0 -54.1 218 257 A P - 0 0 116 0, 0.0 3,-0.0 0, 0.0 11,-0.0 -0.338 28.8-111.6 -69.0 149.8 -12.9 -0.1 -51.0 219 258 A L - 0 0 16 1,-0.1 2,-0.3 10,-0.1 -25,-0.1 -0.542 44.4 -93.7 -75.2 148.7 -14.3 -1.3 -47.6 220 259 A P >> - 0 0 51 0, 0.0 4,-2.1 0, 0.0 3,-1.4 -0.513 28.9-151.2 -72.3 125.8 -16.7 1.1 -46.0 221 260 A S T 34 S+ 0 0 86 -2,-0.3 5,-0.1 1,-0.3 8,-0.1 0.613 92.4 63.8 -74.0 -15.1 -14.8 3.4 -43.6 222 261 A D T 34 S+ 0 0 123 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.594 114.9 30.3 -81.7 -14.4 -17.9 3.8 -41.4 223 262 A H T <4 S+ 0 0 101 -3,-1.4 2,-0.5 1,-0.2 -108,-0.4 0.687 120.8 49.5-110.9 -29.1 -17.9 0.1 -40.5 224 263 A Y S < S- 0 0 3 -4,-2.1 -1,-0.2 -110,-0.1 5,-0.0 -0.959 81.9-122.5-124.5 125.5 -14.2 -0.8 -40.7 225 264 A S > - 0 0 29 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.060 25.9-110.9 -59.9 158.6 -11.3 1.2 -39.1 226 265 A E H > S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.864 120.6 58.9 -56.5 -35.2 -8.4 2.7 -40.9 227 266 A E H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 106.8 43.8 -60.8 -47.8 -6.3 0.0 -39.2 228 267 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.951 116.5 47.4 -64.5 -46.7 -8.3 -2.8 -40.7 229 268 A R H X S+ 0 0 48 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.868 111.8 48.5 -65.1 -38.9 -8.3 -1.2 -44.1 230 269 A Q H X S+ 0 0 84 -4,-2.9 4,-2.5 -5,-0.2 5,-0.2 0.889 108.1 55.6 -68.4 -36.4 -4.6 -0.4 -44.2 231 270 A L H X S+ 0 0 4 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.914 110.4 45.7 -63.2 -41.8 -3.8 -4.0 -43.1 232 271 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 3,-0.3 0.980 111.3 53.5 -57.8 -57.2 -5.7 -5.3 -46.1 233 272 A N H < S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 112.2 42.7 -48.2 -46.0 -4.1 -2.7 -48.4 234 273 A M H >< S+ 0 0 50 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.837 111.6 54.1 -75.6 -31.6 -0.5 -3.7 -47.4 235 274 A C H 3< S+ 0 0 0 -4,-1.7 -49,-0.2 -3,-0.3 -2,-0.2 0.848 111.5 44.1 -70.7 -34.3 -1.1 -7.5 -47.4 236 275 A I T 3< S+ 0 0 5 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.120 77.9 138.0-104.1 23.4 -2.5 -7.5 -51.0 237 276 A N < - 0 0 42 -3,-0.8 6,-0.2 1,-0.1 5,-0.1 -0.525 60.1-129.8 -58.3 127.4 0.1 -5.3 -52.4 238 277 A P S S+ 0 0 25 0, 0.0 -69,-0.2 0, 0.0 -1,-0.1 0.809 92.7 77.1 -51.7 -33.4 1.1 -6.8 -55.8 239 278 A D S >> S- 0 0 65 1,-0.2 3,-2.0 -71,-0.1 4,-0.8 -0.736 71.9-154.1 -89.4 113.6 4.8 -6.6 -54.9 240 279 A P G >4 S+ 0 0 38 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.852 95.6 57.8 -52.9 -41.3 5.7 -9.4 -52.4 241 280 A E G 34 S+ 0 0 106 1,-0.3 -2,-0.0 -3,-0.1 -4,-0.0 0.714 102.6 55.0 -64.3 -21.1 8.6 -7.2 -51.0 242 281 A K G <4 S+ 0 0 134 -3,-2.0 -1,-0.3 -5,-0.1 -5,-0.0 0.673 90.8 92.1 -84.5 -16.8 6.0 -4.5 -50.1 243 282 A R S << S- 0 0 5 -3,-1.0 -8,-0.2 -4,-0.8 2,-0.1 -0.504 80.5-118.8 -77.3 145.6 3.9 -7.0 -48.1 244 283 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -62,-0.1 -0.338 28.6-103.1 -77.0 164.2 4.7 -7.3 -44.4 245 284 A D > - 0 0 105 1,-0.1 4,-1.5 -2,-0.1 3,-0.3 -0.294 37.4-102.4 -75.4 171.1 5.8 -10.5 -42.7 246 285 A V H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.806 118.2 62.6 -67.9 -27.3 3.4 -12.5 -40.7 247 286 A T H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 103.9 47.0 -67.3 -37.9 4.8 -11.2 -37.4 248 287 A Y H > S+ 0 0 118 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.940 113.6 48.6 -65.9 -46.0 3.8 -7.6 -38.2 249 288 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.937 111.7 49.7 -58.7 -48.0 0.3 -8.7 -39.3 250 289 A Y H X S+ 0 0 34 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.908 107.0 54.9 -57.6 -44.1 -0.1 -10.8 -36.1 251 290 A D H X S+ 0 0 77 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.863 109.9 46.4 -61.4 -38.0 1.0 -7.9 -33.9 252 291 A V H X S+ 0 0 9 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.940 110.2 53.1 -67.7 -47.5 -1.7 -5.6 -35.4 253 292 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.902 110.6 48.0 -54.3 -43.3 -4.4 -8.3 -35.1 254 293 A K H X S+ 0 0 85 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.913 112.5 47.8 -65.8 -45.5 -3.5 -8.6 -31.4 255 294 A R H X S+ 0 0 141 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.967 116.6 43.6 -55.5 -54.1 -3.6 -4.9 -30.8 256 295 A M H < S+ 0 0 9 -4,-3.3 4,-0.3 1,-0.2 -2,-0.2 0.878 113.0 50.9 -64.4 -39.8 -6.9 -4.5 -32.6 257 296 A H H >X S+ 0 0 63 -4,-2.9 3,-0.9 -5,-0.3 4,-0.9 0.930 111.1 50.7 -61.4 -43.6 -8.4 -7.6 -31.0 258 297 A A H >< S+ 0 0 68 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.929 114.0 41.7 -57.8 -49.8 -7.4 -6.3 -27.5 259 298 A C T 3< S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.200 114.6 49.2 -95.2 16.4 -8.9 -2.8 -28.0 260 299 A T T <4 0 0 43 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.377 360.0 360.0-121.4 -5.7 -12.2 -3.8 -29.7 261 300 A A << 0 0 94 -4,-0.9 -1,-0.1 -3,-0.5 -144,-0.0 -0.930 360.0 360.0-116.0 360.0 -13.0 -6.5 -27.1