==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-13 4BGQ . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE-LIKE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.CANNING,T.KROJER,S.GOUBIN,P.MAHAJAN,M.VOLLMAR,A.C.W.PIKE, . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 14.9 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 0.7 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 . 13 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 2 0 1 0 1 1 0 2 0 0 0 1 0 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 . 0 2 1 0 1 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 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 9 A V > 0 0 55 0, 0.0 4,-2.0 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0-161.4 67.6 30.1 48.7 2 10 A M T 4 + 0 0 62 2,-0.2 5,-0.1 1,-0.2 65,-0.0 0.464 360.0 72.4 -76.2 -6.7 65.7 31.6 45.7 3 11 A N T 4 S+ 0 0 140 1,-0.1 -1,-0.2 3,-0.1 22,-0.1 0.972 108.6 26.8 -50.0 -65.5 68.6 29.8 44.2 4 12 A K T 4 S+ 0 0 28 20,-0.1 21,-3.3 1,-0.1 2,-0.5 0.686 119.1 62.3 -80.3 -24.3 66.8 26.5 45.2 5 13 A F E < -A 24 0A 7 -4,-2.0 2,-0.4 19,-0.2 19,-0.2 -0.927 68.2-148.1-111.9 127.3 63.2 27.7 45.1 6 14 A E E -A 23 0A 75 17,-3.1 17,-2.2 -2,-0.5 2,-0.5 -0.788 23.5-124.2 -87.1 132.7 61.3 29.0 42.1 7 15 A I E +A 22 0A 75 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.642 30.4 175.4 -78.7 123.0 58.7 31.6 42.8 8 16 A L E - 0 0 68 13,-3.3 2,-0.3 -2,-0.5 14,-0.2 0.714 58.7 -52.2 -97.6 -28.0 55.3 30.6 41.4 9 17 A G E -A 21 0A 29 12,-1.5 12,-3.0 0, 0.0 2,-0.6 -0.963 59.0 -71.9 170.5 177.7 53.2 33.5 42.8 10 18 A V E -A 20 0A 103 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.857 29.6-176.6 -99.7 123.5 52.2 35.6 45.8 11 19 A V E - 0 0 65 8,-2.7 2,-0.3 -2,-0.6 9,-0.2 0.866 67.3 -23.5 -79.7 -47.2 49.9 33.9 48.3 12 20 A G E -A 19 0A 12 7,-1.7 7,-2.9 2,-0.0 -1,-0.3 -0.987 46.4-160.9-164.9 157.6 49.4 36.9 50.6 13 21 A E E +A 18 0A 76 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.973 41.4 102.2-144.3 130.7 50.8 40.2 51.7 14 22 A G S S- 0 0 46 3,-3.1 3,-0.3 -2,-0.3 -2,-0.0 -0.833 84.4 -37.2-169.7-149.3 49.8 42.1 54.9 15 23 A A S S+ 0 0 113 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.857 130.5 59.5 -63.5 -39.0 50.8 42.8 58.5 16 24 A Y S S- 0 0 77 1,-0.2 2,-0.4 20,-0.1 -1,-0.2 0.807 116.2-120.5 -56.5 -30.6 52.3 39.3 58.7 17 25 A G - 0 0 14 -3,-0.3 -3,-3.1 19,-0.1 2,-0.4 -0.996 51.0 -33.6 128.1-126.2 54.6 40.2 55.8 18 26 A V E -AB 13 35A 26 17,-1.7 17,-2.7 -2,-0.4 2,-0.5 -0.999 43.7-159.7-139.4 132.3 54.5 38.4 52.5 19 27 A V E -AB 12 34A 28 -7,-2.9 -8,-2.7 -2,-0.4 -7,-1.7 -0.964 13.1-163.3-112.4 125.0 53.9 34.7 51.7 20 28 A L E -AB 10 33A 16 13,-3.0 13,-3.3 -2,-0.5 2,-0.6 -0.838 17.8-134.0-108.9 141.2 55.2 33.3 48.4 21 29 A K E +AB 9 32A 67 -12,-3.0 -13,-3.3 -2,-0.4 -12,-1.5 -0.861 41.8 171.6 -92.1 122.4 54.1 30.1 46.7 22 30 A C E -AB 7 31A 0 9,-2.7 9,-2.6 -2,-0.6 2,-0.4 -0.848 29.1-140.8-136.9 166.3 57.3 28.4 45.5 23 31 A R E -AB 6 30A 67 -17,-2.2 -17,-3.1 -2,-0.3 2,-0.3 -0.997 24.4-121.3-134.9 126.2 58.7 25.1 44.1 24 32 A H E > -A 5 0A 39 5,-2.6 4,-2.1 -2,-0.4 -19,-0.2 -0.541 21.1-143.8 -65.6 125.5 61.9 23.4 45.0 25 33 A K T 4 S+ 0 0 106 -21,-3.3 -1,-0.1 -2,-0.3 -20,-0.1 0.773 94.0 35.7 -66.5 -30.1 64.0 23.1 41.7 26 34 A E T 4 S+ 0 0 167 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.888 130.9 26.1 -89.5 -45.1 65.5 19.7 42.5 27 35 A T T 4 S- 0 0 91 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.598 90.8-135.6 -95.9 -14.2 62.6 17.8 44.3 28 36 A H < + 0 0 114 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.546 47.2 156.1 63.0 14.4 59.6 19.8 42.8 29 37 A E - 0 0 90 -6,-0.1 -5,-2.6 1,-0.1 2,-0.4 -0.469 40.2-132.9 -66.4 136.9 58.0 20.1 46.2 30 38 A I E +B 23 0A 70 -7,-0.2 47,-0.6 -2,-0.2 2,-0.3 -0.791 35.0 170.9 -92.6 132.7 55.5 23.0 46.4 31 39 A V E -BC 22 76A 2 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.5 -0.876 35.2-120.8-135.0 165.6 56.0 25.1 49.6 32 40 A A E -BC 21 75A 12 43,-2.8 43,-3.1 -2,-0.3 2,-0.6 -0.963 28.2-160.9-108.3 121.6 54.8 28.4 51.1 33 41 A I E -BC 20 74A 0 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.7 -0.897 5.2-154.0-110.8 121.7 57.7 30.8 51.9 34 42 A K E -BC 19 73A 37 39,-3.1 39,-2.3 -2,-0.6 2,-0.4 -0.851 13.5-169.1 -94.6 117.4 57.2 33.6 54.4 35 43 A K E -BC 18 72A 68 -17,-2.7 -17,-1.7 -2,-0.7 2,-0.4 -0.844 14.7-134.1-105.0 143.6 59.6 36.5 53.8 36 44 A F 0 0 59 35,-1.1 -19,-0.1 -2,-0.4 -20,-0.1 -0.782 360.0 360.0-103.3 140.1 59.9 39.3 56.3 37 45 A K 0 0 145 -2,-0.4 -1,-0.0 33,-0.1 -2,-0.0 -0.692 360.0 360.0 -81.1 360.0 59.9 43.0 55.4 38 ! 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 39 53 A V 0 0 106 0, 0.0 2,-0.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 133.3 64.2 38.1 64.0 40 54 A K >> - 0 0 92 1,-0.1 4,-1.6 0, 0.0 3,-0.6 -0.746 360.0-104.2-119.0 164.4 62.0 38.9 67.0 41 55 A E H 3> S+ 0 0 71 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.842 117.8 59.3 -54.3 -39.8 60.9 37.1 70.1 42 56 A T H 3> S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.910 103.1 51.5 -59.4 -44.4 57.5 36.3 68.7 43 57 A T H <> S+ 0 0 8 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.945 111.6 47.1 -58.9 -48.3 59.1 34.4 65.8 44 58 A L H X S+ 0 0 111 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.873 111.7 50.7 -62.2 -39.3 61.2 32.2 68.1 45 59 A R H X S+ 0 0 76 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.923 110.9 49.4 -61.7 -44.9 58.2 31.5 70.4 46 60 A E H X S+ 0 0 22 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.898 106.5 54.0 -63.7 -44.6 56.1 30.4 67.4 47 61 A L H X S+ 0 0 38 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.898 107.8 52.0 -59.4 -40.4 58.8 28.0 66.0 48 62 A K H X S+ 0 0 141 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.938 110.9 47.0 -60.5 -46.1 59.0 26.3 69.4 49 63 A M H X S+ 0 0 12 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.913 107.4 56.2 -64.3 -41.3 55.2 25.8 69.5 50 64 A L H < S+ 0 0 9 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.861 108.3 48.6 -58.1 -37.4 55.1 24.5 65.9 51 65 A R H >< S+ 0 0 206 -4,-1.7 3,-0.8 -5,-0.2 -1,-0.2 0.920 112.2 47.9 -68.7 -45.2 57.6 21.8 66.8 52 66 A T H 3< S+ 0 0 69 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.909 116.6 43.8 -56.5 -42.1 55.6 20.8 69.9 53 67 A L T 3< S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.391 75.8 151.4 -91.3 5.0 52.4 20.7 68.0 54 68 A K < + 0 0 133 -3,-0.8 2,-0.3 -4,-0.4 5,-0.1 -0.083 25.4 122.1 -48.1 119.3 53.6 18.8 64.8 55 69 A Q S > S- 0 0 83 3,-0.5 3,-1.9 1,-0.0 -2,-0.0 -0.948 76.7 -90.3-172.5 163.5 50.6 16.9 63.5 56 70 A E T 3 S+ 0 0 74 1,-0.3 4,-0.1 -2,-0.3 -2,-0.1 0.704 123.6 51.2 -62.6 -22.1 48.5 16.6 60.3 57 71 A N T 3 S+ 0 0 29 79,-0.1 80,-2.3 2,-0.1 2,-0.4 0.229 101.2 71.6-101.5 14.7 46.1 19.4 61.5 58 72 A I B < S-e 137 0B 2 -3,-1.9 -3,-0.5 78,-0.3 80,-0.2 -0.997 94.9-105.0-127.1 133.6 48.9 21.9 62.2 59 73 A V - 0 0 8 78,-2.8 2,-0.5 -2,-0.4 -2,-0.1 -0.292 39.0-126.5 -60.6 133.6 50.8 23.6 59.4 60 74 A E - 0 0 65 -4,-0.1 16,-2.7 -6,-0.1 2,-0.5 -0.708 8.7-146.5 -87.5 129.2 54.3 22.1 59.2 61 75 A L E -D 75 0A 46 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.833 18.5-179.1 -85.5 127.3 57.4 24.3 59.3 62 76 A K E - 0 0 74 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.811 53.6 -29.8 -99.9 -39.8 59.9 22.6 57.0 63 77 A E E -D 74 0A 92 11,-1.5 11,-3.1 2,-0.0 -1,-0.4 -0.978 46.1-132.7-167.9 167.1 63.0 24.8 57.2 64 78 A A E +D 73 0A 56 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 26.4 171.4-127.2 144.6 64.4 28.3 57.8 65 79 A F E -D 72 0A 29 7,-2.6 7,-3.1 -2,-0.4 2,-0.4 -0.924 20.6-136.0-144.0 172.4 67.0 30.2 55.7 66 80 A R E -D 71 0A 143 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.992 7.6-170.1-129.8 139.2 68.6 33.6 55.3 67 81 A R E > S-D 70 0A 35 3,-1.8 3,-1.8 -2,-0.4 -2,-0.0 -0.956 84.7 -26.3-126.6 108.9 69.5 35.6 52.2 68 82 A R T 3 S- 0 0 114 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.908 126.6 -48.4 54.5 47.6 71.7 38.6 53.2 69 83 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.210 109.0 123.6 82.5 -17.4 70.3 38.8 56.7 70 84 A K E < - D 0 67A 35 -3,-1.8 -3,-1.8 1,-0.0 2,-0.4 -0.661 60.2-128.7 -77.8 131.1 66.6 38.5 55.7 71 85 A L E - D 0 66A 22 -2,-0.4 -35,-1.1 -5,-0.2 2,-0.4 -0.663 23.2-172.4 -81.2 129.3 64.8 35.6 57.3 72 86 A Y E -CD 35 65A 28 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.5 -0.987 5.9-160.9-117.7 132.5 62.7 33.2 55.1 73 87 A L E -CD 34 64A 6 -39,-2.3 -39,-3.1 -2,-0.4 2,-0.6 -0.961 8.4-149.9-112.3 126.7 60.5 30.5 56.7 74 88 A V E +CD 33 63A 1 -11,-3.1 -12,-3.4 -2,-0.5 -11,-1.5 -0.871 22.9 175.3-100.8 117.6 59.5 27.5 54.6 75 89 A F E -CD 32 61A 26 -43,-3.1 -43,-2.8 -2,-0.6 -14,-0.2 -0.788 40.3 -85.4-113.3 158.4 56.1 25.9 55.3 76 90 A E E -C 31 0A 39 -16,-2.7 2,-0.5 -2,-0.3 -45,-0.2 -0.295 49.9-124.8 -43.4 138.9 53.9 23.2 54.0 77 91 A Y - 0 0 64 -47,-0.6 2,-0.4 -46,-0.1 -47,-0.1 -0.882 25.1-171.3-100.7 129.6 51.7 24.7 51.3 78 92 A V - 0 0 17 -2,-0.5 52,-0.1 52,-0.1 51,-0.0 -0.944 27.3-126.9-119.7 138.8 47.9 24.4 51.6 79 93 A E S S- 0 0 96 -2,-0.4 2,-0.3 49,-0.1 51,-0.1 0.717 76.7 -9.4 -68.2 -27.0 45.8 25.5 48.6 80 94 A K E -F 129 0B 40 49,-0.7 49,-2.7 4,-0.0 2,-0.2 -0.980 57.7-125.0-156.3 167.5 43.5 27.9 50.3 81 95 A N E > -F 128 0B 18 -2,-0.3 4,-2.0 47,-0.3 3,-0.3 -0.734 35.9-106.0-112.8 172.1 42.2 29.3 53.6 82 96 A M H > S+ 0 0 0 45,-2.2 4,-2.2 42,-0.9 43,-0.2 0.836 117.6 61.5 -67.2 -32.8 38.6 29.6 55.0 83 97 A L H > S+ 0 0 63 41,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.902 106.5 45.4 -57.4 -43.7 38.6 33.4 54.3 84 98 A E H > S+ 0 0 80 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.902 109.9 55.1 -67.2 -41.2 39.0 32.7 50.6 85 99 A L H X S+ 0 0 21 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.880 106.6 50.0 -57.5 -40.9 36.4 30.0 50.7 86 100 A L H < S+ 0 0 15 -4,-2.2 -1,-0.2 2,-0.2 6,-0.2 0.807 106.6 55.9 -72.2 -27.2 33.9 32.4 52.2 87 101 A E H < S+ 0 0 137 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 110.9 44.6 -66.2 -40.2 34.7 34.9 49.4 88 102 A E H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.773 125.6 33.6 -72.3 -27.2 33.8 32.2 46.9 89 103 A M S >< S+ 0 0 67 -4,-1.5 3,-2.1 -5,-0.2 -1,-0.3 -0.618 70.3 170.7-129.2 73.1 30.7 31.3 48.9 90 104 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.546 75.9 54.3 -70.9 -6.4 29.4 34.5 50.4 91 105 A N T 3 S- 0 0 134 1,-0.4 92,-0.2 92,-0.1 93,-0.1 0.208 120.4 -91.0-106.9 14.4 26.1 33.1 51.7 92 106 A G < - 0 0 16 -3,-2.1 -1,-0.4 90,-0.3 89,-0.2 -0.234 41.1 -82.5 104.8 167.6 27.8 30.2 53.6 93 107 A V - 0 0 11 87,-2.7 5,-0.1 1,-0.1 90,-0.1 -0.652 58.6 -74.5-102.6 165.2 28.8 26.6 52.9 94 108 A P >> - 0 0 72 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.214 45.2-111.4 -58.9 149.3 26.5 23.5 53.0 95 109 A P H 3> S+ 0 0 99 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.819 117.7 57.2 -54.2 -35.6 25.5 22.3 56.5 96 110 A E H 3> S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.864 108.6 45.7 -59.3 -42.0 27.7 19.1 56.1 97 111 A K H <> S+ 0 0 80 -3,-1.0 4,-2.7 2,-0.2 5,-0.3 0.841 108.7 56.5 -72.7 -34.9 30.8 21.2 55.4 98 112 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.958 111.0 43.9 -57.3 -51.0 29.9 23.4 58.4 99 113 A K H X S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.900 114.0 49.8 -62.4 -43.6 29.9 20.4 60.7 100 114 A S H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.923 113.8 44.0 -63.1 -47.4 33.1 18.9 59.1 101 115 A Y H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.930 115.9 47.0 -67.1 -42.4 35.1 22.1 59.5 102 116 A I H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.919 112.3 51.5 -66.9 -38.1 33.9 22.8 63.0 103 117 A Y H X S+ 0 0 93 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.944 113.4 44.3 -55.1 -51.0 34.6 19.2 64.0 104 118 A Q H X S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.877 112.7 51.5 -66.9 -37.5 38.1 19.5 62.6 105 119 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.941 110.4 48.6 -65.0 -46.7 38.7 22.9 64.2 106 120 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.908 111.0 51.1 -60.5 -40.2 37.6 21.6 67.6 107 121 A K H X S+ 0 0 81 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.884 111.3 47.8 -62.7 -40.1 39.9 18.5 67.2 108 122 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 113.3 47.0 -69.8 -42.1 42.9 20.8 66.3 109 123 A I H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.895 107.7 57.7 -64.0 -39.3 42.2 23.1 69.3 110 124 A H H X S+ 0 0 47 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.893 106.4 49.3 -57.0 -42.5 41.8 20.0 71.5 111 125 A W H X S+ 0 0 54 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.900 110.8 48.9 -64.6 -42.7 45.4 19.0 70.5 112 126 A C H ><>S+ 0 0 1 -4,-1.9 5,-2.4 1,-0.2 3,-0.9 0.964 112.8 48.2 -58.6 -52.9 46.8 22.5 71.3 113 127 A H H ><5S+ 0 0 7 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.824 104.9 57.9 -60.1 -35.7 45.0 22.5 74.7 114 128 A K H 3<5S+ 0 0 141 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.795 107.8 49.3 -64.0 -29.8 46.3 19.0 75.5 115 129 A N T <<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.218 122.0-111.8 -90.8 12.0 49.8 20.6 75.0 116 130 A D T < 5S+ 0 0 60 -3,-1.7 30,-3.1 1,-0.2 2,-0.5 0.677 76.2 131.3 67.1 21.0 48.8 23.5 77.3 117 131 A I E < -H 145 0C 2 -5,-2.4 2,-0.4 28,-0.2 28,-0.2 -0.912 41.3-162.9-108.5 126.5 48.8 26.0 74.4 118 132 A V E -H 144 0C 0 26,-2.5 26,-2.3 -2,-0.5 48,-0.1 -0.922 9.0-154.3-103.4 133.6 46.0 28.4 73.7 119 133 A H - 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0 0 6 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.268 59.9 -10.1 88.5-175.6 22.8 40.9 76.2 205 229 A P S S- 0 0 84 0, 0.0 51,-0.1 0, 0.0 3,-0.1 -0.164 75.2-105.8 -60.5 144.6 24.7 42.7 79.0 206 230 A L - 0 0 6 1,-0.1 5,-0.1 2,-0.1 51,-0.0 -0.316 45.9 -89.7 -62.3 150.8 28.2 41.5 79.9 207 231 A P >> - 0 0 33 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.216 40.5-102.9 -61.5 153.5 28.6 39.6 83.2 208 232 A S H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 118.5 52.5 -42.9 -50.6 29.3 41.5 86.4 209 233 A E H 3> S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 110.0 48.0 -63.5 -35.1 33.0 40.6 86.6 210 234 A Q H <> S+ 0 0 11 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.898 109.4 53.1 -71.5 -39.6 33.6 41.8 83.0 211 235 A M H X S+ 0 0 60 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.919 108.4 50.7 -60.3 -42.7 31.8 45.1 83.6 212 236 A K H >X S+ 0 0 118 -4,-2.3 4,-1.8 1,-0.2 3,-0.7 0.893 105.9 56.1 -60.3 -40.6 34.0 45.7 86.7 213 237 A L H 3X S+ 0 0 39 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.824 96.7 63.7 -61.7 -34.1 37.1 45.0 84.5 214 238 A F H 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 6,-0.2 0.881 113.2 34.7 -56.9 -37.3 36.0 47.8 82.2 215 239 A Y H << S+ 0 0 166 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.717 118.3 49.5 -91.2 -24.4 36.4 50.3 85.0 216 240 A S H < S+ 0 0 83 -4,-1.8 -2,-0.2 1,-0.0 -3,-0.2 0.734 93.3 81.6 -86.4 -22.7 39.4 48.7 86.8 217 241 A N S >< S- 0 0 36 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.0 -0.745 73.4-149.9 -85.2 113.2 41.5 48.3 83.7 218 242 A P G > S+ 0 0 105 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.638 86.1 82.5 -62.6 -12.4 43.1 51.8 83.1 219 243 A R G 3 S+ 0 0 161 1,-0.3 -5,-0.1 -59,-0.1 -4,-0.1 0.802 96.4 43.5 -53.3 -32.6 43.1 51.2 79.3 220 244 A F G X S+ 0 0 7 -3,-2.0 3,-2.3 -6,-0.2 -1,-0.3 0.169 82.8 158.2-103.0 20.3 39.5 52.3 79.3 221 245 A H T < S- 0 0 164 -3,-1.8 3,-0.1 1,-0.3 -6,-0.1 -0.137 73.2 -4.2 -52.4 127.3 40.0 55.3 81.6 222 246 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -7,-0.1 2,-0.1 0.426 99.4 135.7 71.9 -0.9 37.1 57.8 81.2 223 247 A L < - 0 0 86 -3,-2.3 2,-0.5 1,-0.1 -1,-0.2 -0.417 60.1-108.1 -83.1 157.3 35.5 55.9 78.3 224 248 A R - 0 0 176 -2,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.706 28.5-125.7 -82.3 124.4 31.7 55.3 78.0 225 249 A F - 0 0 23 -2,-0.5 2,-2.0 1,-0.1 -32,-0.0 -0.564 26.6-121.6 -65.5 130.2 30.6 51.7 78.7 226 250 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -26,-0.1 -0.515 35.9-167.4 -80.4 80.5 28.6 50.7 75.6 227 251 A A - 0 0 69 -2,-2.0 2,-0.3 1,-0.1 -30,-0.0 -0.436 13.9-128.7 -69.5 141.7 25.3 49.8 77.3 228 252 A V - 0 0 35 1,-0.2 -1,-0.1 -2,-0.1 -30,-0.0 -0.643 17.1-165.5 -98.6 147.6 22.9 47.9 75.2 229 253 A N S S+ 0 0 133 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.897 75.5 4.5 -90.4 -83.7 19.2 48.8 74.6 230 254 A H S S- 0 0 154 -26,-0.1 -1,-0.2 -29,-0.0 -26,-0.0 -0.857 74.4-149.0-113.1 92.7 17.2 45.9 73.0 231 255 A P - 0 0 55 0, 0.0 -29,-0.2 0, 0.0 -30,-0.1 -0.303 1.3-149.2 -67.3 150.0 19.4 42.7 72.7 232 256 A Q - 0 0 77 -31,-2.9 4,-0.3 -32,-0.1 -30,-0.2 0.849 25.5-138.1 -87.7 -39.5 18.5 40.4 69.7 233 257 A S > - 0 0 36 -31,-2.2 4,-2.6 -32,-0.2 -30,-0.1 0.358 21.3-104.2 82.7 143.5 19.4 36.8 70.9 234 258 A L H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 120.0 61.8 -65.2 -35.9 21.1 34.0 69.0 235 259 A E H > S+ 0 0 87 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.919 111.4 38.1 -54.5 -47.6 17.7 32.3 68.5 236 260 A R H 4 S+ 0 0 175 -4,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.901 115.3 52.8 -69.6 -43.5 16.5 35.3 66.6 237 261 A R H < S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.865 120.0 32.9 -62.2 -36.9 19.8 35.9 64.8 238 262 A Y H >X S+ 0 0 3 -4,-2.7 3,-2.5 -5,-0.1 4,-2.2 0.323 78.0 131.0-111.1 9.4 20.0 32.3 63.5 239 263 A L T 3< S+ 0 0 148 -4,-0.7 4,-0.1 -3,-0.4 -3,-0.0 -0.433 85.9 14.3 -58.2 128.8 16.4 31.3 62.9 240 264 A G T 34 S+ 0 0 81 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.483 125.6 64.1 78.7 3.9 16.3 29.8 59.4 241 265 A I T <4 S+ 0 0 65 -3,-2.5 2,-0.4 1,-0.4 -2,-0.2 0.685 100.2 38.9-118.0 -56.4 20.1 29.5 59.3 242 266 A L S < S- 0 0 16 -4,-2.2 -2,-0.4 -7,-0.1 -1,-0.4 -0.819 76.3-130.1 -98.3 137.3 21.0 27.0 62.1 243 267 A N > - 0 0 89 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.291 39.0 -97.5 -69.3 169.5 19.1 23.8 63.0 244 268 A S H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.781 122.0 55.4 -66.5 -26.2 18.3 23.3 66.7 245 269 A V H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.943 112.6 40.6 -72.5 -48.5 21.3 21.0 67.3 246 270 A L H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.849 113.4 55.1 -66.5 -36.9 23.9 23.6 65.9 247 271 A L H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 106.6 51.6 -60.2 -43.2 22.1 26.4 67.7 248 272 A D H X S+ 0 0 68 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.952 112.4 45.4 -58.2 -51.0 22.4 24.5 71.0 249 273 A L H >X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-0.7 0.939 111.5 52.4 -57.5 -48.1 26.2 24.0 70.4 250 274 A M H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-0.7 0.881 104.1 55.9 -58.4 -43.8 26.6 27.7 69.4 251 275 A K H 3< S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 110.2 47.0 -56.4 -33.0 24.9 29.0 72.6 252 276 A N H << S+ 0 0 24 -4,-1.2 10,-2.1 -3,-0.7 3,-0.3 0.587 111.4 49.0 -91.2 -10.3 27.4 27.0 74.7 253 277 A L H << S+ 0 0 0 -4,-1.1 -79,-0.2 -3,-0.7 -2,-0.2 0.731 112.5 50.3 -84.8 -32.1 30.4 28.2 72.8 254 278 A L S < S+ 0 0 4 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.1 -0.120 72.5 141.6-103.5 32.4 29.3 31.8 73.0 255 279 A K - 0 0 82 -3,-0.3 6,-0.1 1,-0.1 -3,-0.1 -0.596 50.5-139.2 -66.1 134.1 28.6 32.0 76.7 256 280 A L S S+ 0 0 24 -2,-0.3 -99,-0.3 -53,-0.1 -1,-0.1 0.910 90.6 66.7 -67.4 -40.8 29.8 35.5 77.9 257 281 A D S > S- 0 0 65 1,-0.1 3,-2.0 -101,-0.1 4,-0.4 -0.724 81.0-145.9 -79.8 117.2 31.3 34.1 81.1 258 282 A P G > S+ 0 0 30 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.819 95.8 66.7 -59.4 -27.7 34.3 31.9 80.0 259 283 A A G 3 S+ 0 0 86 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.700 100.0 50.6 -62.7 -23.4 33.6 29.6 83.0 260 284 A D G < S+ 0 0 94 -3,-2.0 -1,-0.2 2,-0.1 2,-0.2 0.479 87.6 106.9 -91.4 -7.1 30.3 28.5 81.3 261 285 A R S < S- 0 0 10 -3,-1.3 2,-0.2 -4,-0.4 -8,-0.2 -0.535 75.1-115.0 -76.2 139.9 31.7 27.7 77.8 262 286 A Y - 0 0 50 -10,-2.1 2,-0.1 -2,-0.2 -1,-0.1 -0.545 29.9-147.1 -65.0 132.9 32.0 24.1 76.7 263 287 A L > - 0 0 69 -2,-0.2 4,-2.1 -93,-0.0 3,-0.2 -0.365 36.9 -80.9 -92.2-176.3 35.7 23.1 76.2 264 288 A T H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.861 122.9 49.6 -64.7 -44.6 36.8 20.7 73.6 265 289 A E H > S+ 0 0 135 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.923 113.4 47.9 -61.2 -42.0 36.0 17.3 75.1 266 290 A Q H >4 S+ 0 0 107 -3,-0.2 3,-0.7 1,-0.2 -1,-0.2 0.905 110.2 53.3 -66.2 -40.8 32.5 18.3 76.0 267 291 A C H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 6,-0.4 0.914 104.9 53.6 -55.6 -44.7 31.9 19.7 72.5 268 292 A L H 3< S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.693 106.7 53.6 -71.4 -14.5 33.0 16.4 71.0 269 293 A N T << S+ 0 0 100 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.385 87.8 110.8 -94.4 2.0 30.4 14.6 73.1 270 294 A H S X> S- 0 0 10 -3,-1.8 4,-1.8 -4,-0.2 3,-1.7 -0.424 84.2-112.4 -75.5 150.1 27.6 17.0 71.9 271 295 A P H 3> S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.794 111.2 74.3 -50.4 -30.6 24.9 15.7 69.6 272 296 A T H 34 S+ 0 0 16 -27,-0.2 -4,-0.1 1,-0.2 -26,-0.1 0.883 114.0 21.5 -47.8 -43.5 26.3 17.8 66.8 273 297 A F H <4 S+ 0 0 35 -3,-1.7 -1,-0.2 -6,-0.4 -5,-0.1 0.652 121.5 57.7-103.6 -19.2 29.2 15.3 66.4 274 298 A Q H < S+ 0 0 114 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.1 0.705 85.0 91.2 -89.4 -22.9 27.7 12.2 68.0 275 299 A T < - 0 0 95 -4,-2.1 2,-0.4 -5,-0.2 -5,-0.0 -0.400 64.2-149.8 -71.5 149.9 24.7 11.8 65.8 276 300 A Q - 0 0 184 -2,-0.1 -2,-0.1 2,-0.0 -3,-0.0 -0.996 23.3-111.3-123.5 121.5 25.0 9.7 62.6 277 301 A R 0 0 249 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.240 360.0 360.0 -45.0 141.6 23.0 10.4 59.4 278 302 A L 0 0 155 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.320 360.0 360.0 -73.8 360.0 20.5 7.6 59.0