==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-NOV-12 3ZDU . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE-LIKE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.CANNING,J.M.ELKINS,S.GOUBIN,P.MAHAJAN,A.C.W.PIKE,A.QUIGLEY . 297 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 62.3 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 . 39 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 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-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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 4 1 0 1 0 1 1 1 1 0 0 0 1 0 1 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 1 1 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 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 1 A M 0 0 209 0, 0.0 64,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.5 5.5 31.7 56.9 2 2 A E - 0 0 56 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.070 360.0-161.1 -36.8 121.0 9.0 30.1 56.8 3 3 A M + 0 0 89 20,-0.0 21,-4.0 21,-0.0 2,-0.4 0.416 68.7 77.3 -87.0 0.7 11.3 32.5 58.7 4 4 A Y E -A 23 0A 17 19,-0.3 2,-0.8 20,-0.1 19,-0.2 -0.921 68.9-145.2-122.3 137.1 14.3 30.8 56.9 5 5 A E E -A 22 0A 112 17,-2.2 17,-1.7 -2,-0.4 2,-0.3 -0.873 30.5-139.0 -85.7 108.1 15.8 30.9 53.5 6 6 A T E -A 21 0A 96 -2,-0.8 15,-0.3 15,-0.2 3,-0.1 -0.624 22.4-175.8 -70.3 131.8 16.9 27.3 53.1 7 7 A L E - 0 0 94 13,-4.0 2,-0.3 1,-0.4 14,-0.2 0.712 54.1 -37.9-102.4 -29.8 20.4 27.6 51.4 8 8 A G E -A 20 0A 36 12,-1.5 12,-3.5 0, 0.0 2,-0.6 -0.907 58.6 -92.7 171.0 160.6 21.3 23.9 50.8 9 9 A K E +A 19 0A 118 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.827 33.4 170.8 -97.3 118.7 21.1 20.4 52.1 10 10 A V E + 0 0 84 8,-1.4 2,-0.3 -2,-0.6 9,-0.2 0.406 63.6 12.7-106.5 2.3 24.1 19.3 54.2 11 11 A G E +A 18 0A 13 7,-1.4 7,-1.9 2,-0.0 2,-0.3 -0.988 49.3 178.8-170.9 161.5 22.7 16.0 55.5 12 12 A E E +A 17 0A 130 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.945 12.2 158.7-165.6 146.0 20.0 13.3 55.5 13 13 A G E > -A 16 0A 23 3,-3.2 3,-0.7 -2,-0.3 137,-0.1 -0.873 61.2 -72.5-153.1-174.8 19.2 10.0 57.2 14 14 A S T 3 S+ 0 0 82 135,-0.4 3,-0.1 -2,-0.3 136,-0.1 0.680 131.1 52.7 -56.8 -18.4 16.6 7.4 58.2 15 15 A Y T 3 S- 0 0 74 1,-0.3 21,-0.4 134,-0.1 2,-0.3 0.742 118.8 -93.1 -86.8 -32.4 15.5 10.2 60.5 16 16 A G E < -A 13 0A 0 -3,-0.7 -3,-3.2 19,-0.2 2,-0.3 -0.989 54.1 -44.0 144.5-142.0 15.1 13.1 58.2 17 17 A T E -AB 12 34A 16 17,-2.1 17,-2.8 -2,-0.3 2,-0.5 -0.917 20.1-144.4-143.0 148.3 17.3 16.0 57.0 18 18 A V E -AB 11 33A 29 -7,-1.9 -7,-1.4 -2,-0.3 -8,-1.4 -0.980 24.9-171.9-113.4 127.8 19.7 18.8 57.9 19 19 A M E -AB 9 32A 49 13,-2.3 13,-3.2 -2,-0.5 2,-0.5 -0.954 22.4-133.8-119.8 136.4 19.4 22.0 55.9 20 20 A K E +AB 8 31A 68 -12,-3.5 -13,-4.0 -2,-0.4 -12,-1.5 -0.792 42.8 170.5 -84.5 128.9 21.8 25.0 55.9 21 21 A C E -AB 6 30A 2 9,-2.5 9,-2.8 -2,-0.5 2,-0.3 -0.805 34.8-136.8-140.3 171.5 19.5 28.1 56.2 22 22 A K E -AB 5 29A 73 -17,-1.7 -17,-2.2 -2,-0.2 7,-0.2 -0.935 29.1-122.4-140.1 106.8 19.5 31.8 56.8 23 23 A H E > -A 4 0A 29 5,-2.4 4,-2.4 -2,-0.3 -19,-0.3 -0.264 23.4-132.4 -54.4 131.0 17.0 33.4 59.2 24 24 A K T 4 S+ 0 0 92 -21,-4.0 -1,-0.1 2,-0.2 -20,-0.1 0.770 99.7 26.5 -65.8 -30.0 15.1 36.0 57.1 25 25 A N T 4 S+ 0 0 127 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.897 127.2 41.2 -95.5 -58.4 15.4 38.8 59.6 26 26 A T T 4 S- 0 0 90 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.788 89.9-142.0 -47.1 -39.6 18.6 37.9 61.6 27 27 A G < + 0 0 32 -4,-2.4 2,-0.3 1,-0.2 -3,-0.1 0.609 47.0 159.3 69.0 15.2 20.4 36.9 58.5 28 28 A Q - 0 0 75 -5,-0.1 -5,-2.4 -6,-0.1 2,-0.4 -0.548 42.3-129.1 -82.0 133.0 21.8 34.2 60.7 29 29 A I E +B 22 0A 62 -2,-0.3 46,-0.7 -7,-0.2 2,-0.3 -0.608 39.6 169.4 -79.9 124.3 23.3 31.0 59.2 30 30 A V E -BC 21 74A 0 -9,-2.8 -9,-2.5 -2,-0.4 2,-0.5 -0.837 37.0-131.5-131.2 167.5 21.8 27.9 60.8 31 31 A A E -BC 20 73A 15 42,-2.4 42,-2.5 -2,-0.3 2,-0.6 -0.978 27.2-160.5-120.1 116.5 21.6 24.2 60.4 32 32 A I E -BC 19 72A 7 -13,-3.2 -13,-2.3 -2,-0.5 2,-0.4 -0.856 6.3-154.1-108.4 119.6 18.0 22.9 60.7 33 33 A K E -BC 18 71A 19 38,-2.8 38,-2.5 -2,-0.6 2,-0.4 -0.756 15.0-168.5 -88.0 133.2 17.3 19.3 61.5 34 34 A I E -BC 17 70A 27 -17,-2.8 -17,-2.1 -2,-0.4 36,-0.2 -0.955 4.5-174.7-133.6 112.3 13.9 18.3 60.2 35 35 A F 0 0 3 34,-1.7 -19,-0.2 -2,-0.4 -20,-0.1 -0.020 360.0 360.0 -92.2-167.5 12.2 15.0 61.2 36 36 A Y 0 0 184 -21,-0.4 -20,-0.1 32,-0.1 -1,-0.0 0.069 360.0 360.0-122.8 360.0 9.0 13.2 60.1 37 ! 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 38 44 A N > 0 0 105 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 98.5 8.3 11.1 67.7 39 45 A K H > + 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.907 360.0 55.5 -55.8 -49.8 10.6 9.9 70.5 40 46 A I H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 107.2 47.3 -60.5 -47.5 13.9 10.7 68.9 41 47 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.956 114.7 48.0 -51.9 -50.9 13.2 14.4 68.2 42 48 A M H X S+ 0 0 116 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.823 110.1 49.2 -69.4 -34.4 11.9 14.9 71.8 43 49 A R H X S+ 0 0 47 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.822 109.8 52.8 -76.9 -27.7 14.8 13.2 73.6 44 50 A E H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.949 112.6 45.1 -64.8 -47.4 17.3 15.2 71.6 45 51 A I H X S+ 0 0 38 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.922 109.9 54.6 -58.1 -49.5 15.5 18.3 72.6 46 52 A K H X S+ 0 0 116 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.907 111.0 47.1 -49.8 -44.6 15.3 17.1 76.3 47 53 A F H X S+ 0 0 14 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.918 108.1 52.5 -66.8 -47.4 19.1 16.6 76.2 48 54 A L H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 11,-0.2 0.672 104.8 58.1 -67.0 -16.7 20.0 20.0 74.7 49 55 A K H < S+ 0 0 75 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.875 115.9 32.3 -77.9 -39.8 18.0 21.8 77.3 50 56 A Q H < S+ 0 0 65 -4,-1.1 2,-0.4 -3,-0.3 -2,-0.2 0.793 111.6 65.9 -86.1 -29.4 19.9 20.4 80.3 51 57 A F < + 0 0 45 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.1 -0.827 51.8 164.1-114.8 134.5 23.4 20.0 78.8 52 58 A H + 0 0 128 -2,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.998 5.0 147.4-148.2 137.8 25.9 22.6 77.7 53 59 A H > - 0 0 45 -2,-0.3 3,-1.1 3,-0.2 53,-0.0 -0.959 52.4-110.9-164.5 160.8 29.7 22.7 76.9 54 60 A E T 3 S+ 0 0 84 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.432 117.4 51.6 -84.5 -1.2 32.0 24.6 74.6 55 61 A N T 3 S+ 0 0 1 2,-0.1 80,-2.3 79,-0.1 2,-0.3 -0.122 97.7 83.0-121.3 29.6 32.7 21.4 72.6 56 62 A L B < S-e 135 0B 4 -3,-1.1 80,-0.2 78,-0.3 -3,-0.2 -0.964 89.1-101.0-125.4 150.1 29.0 20.6 72.1 57 63 A V - 0 0 8 78,-2.4 2,-0.4 -2,-0.3 -2,-0.1 -0.431 36.4-118.8 -73.5 140.5 26.8 22.1 69.4 58 64 A N - 0 0 76 -2,-0.1 16,-2.1 -4,-0.1 2,-0.4 -0.652 16.6-150.6 -82.2 126.9 24.4 25.0 70.3 59 65 A L E -D 73 0A 51 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.791 14.5-179.7 -88.8 141.2 20.7 24.6 69.9 60 66 A I E - 0 0 71 12,-2.8 2,-0.3 1,-0.4 13,-0.2 0.807 54.5 -24.3-108.9 -51.7 18.9 27.9 69.2 61 67 A E E -D 72 0A 74 11,-1.1 11,-2.4 2,-0.0 -1,-0.4 -0.976 46.4-134.1-159.0 172.2 15.1 27.1 68.9 62 68 A V E +D 71 0A 70 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 24.2 166.8-136.0 126.1 12.4 24.6 68.1 63 69 A F E -D 70 0A 34 7,-1.7 7,-3.4 -2,-0.4 2,-0.3 -0.946 28.8-141.9-137.7 166.4 9.3 24.9 65.9 64 70 A R + 0 0 73 -2,-0.3 3,-0.5 5,-0.2 2,-0.3 -0.642 31.7 166.0-127.6 67.7 6.8 22.5 64.3 65 71 A Q + 0 0 71 -2,-0.3 3,-0.4 1,-0.2 -2,-0.1 -0.710 67.8 6.3 -90.4 139.8 5.9 23.8 60.8 66 72 A K S S- 0 0 86 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.946 130.7 -60.7 54.5 55.0 4.0 21.5 58.4 67 73 A K S S+ 0 0 104 -3,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.806 115.4 107.4 43.5 40.2 3.4 18.8 61.0 68 74 A K S S- 0 0 73 -3,-0.4 2,-0.5 -32,-0.0 -3,-0.2 -0.990 70.6-117.3-143.8 152.7 7.2 18.3 61.4 69 75 A I - 0 0 38 -2,-0.3 -34,-1.7 -5,-0.2 2,-0.5 -0.769 26.0-163.0 -97.2 130.5 9.7 19.2 64.1 70 76 A H E -CD 34 63A 16 -7,-3.4 -7,-1.7 -2,-0.5 2,-0.6 -0.947 4.8-166.6-118.8 129.8 12.5 21.6 63.3 71 77 A L E -CD 33 62A 0 -38,-2.5 -38,-2.8 -2,-0.5 2,-0.6 -0.952 9.5-155.7-120.7 110.5 15.6 22.0 65.4 72 78 A V E +CD 32 61A 0 -11,-2.4 -12,-2.8 -2,-0.6 -11,-1.1 -0.771 17.9 177.7 -92.6 121.2 17.6 25.0 64.6 73 79 A F E -CD 31 59A 19 -42,-2.5 -42,-2.4 -2,-0.6 -14,-0.2 -0.836 37.4 -93.5-111.0 159.2 21.3 24.8 65.5 74 80 A E E -C 30 0A 41 -16,-2.1 2,-0.5 -2,-0.3 -44,-0.2 -0.242 48.7-114.2 -54.0 154.9 24.2 27.1 65.1 75 81 A F - 0 0 54 -46,-0.7 2,-0.4 -45,-0.1 -46,-0.1 -0.896 28.1-165.5-106.9 127.8 26.1 26.4 61.9 76 82 A I - 0 0 18 -2,-0.5 52,-0.1 1,-0.1 51,-0.1 -0.937 30.3-114.2-116.1 138.8 29.7 25.1 62.0 77 83 A D S S- 0 0 71 -2,-0.4 2,-0.2 49,-0.1 51,-0.2 0.765 76.5 -36.6 -42.5 -56.9 31.8 25.1 58.9 78 84 A H E -F 127 0B 39 49,-2.5 49,-3.5 -3,-0.0 2,-0.2 -0.833 55.7-104.8-151.9-170.5 32.3 21.4 58.3 79 85 A T E > -F 126 0B 19 47,-0.3 4,-1.0 -2,-0.2 47,-0.2 -0.767 31.9-110.3-117.5 171.9 32.7 18.0 59.8 80 86 A V H > S+ 0 0 0 45,-2.0 4,-2.2 42,-1.0 43,-0.2 0.810 119.8 61.9 -68.0 -36.2 35.6 15.5 60.3 81 87 A L H > S+ 0 0 44 41,-1.1 4,-2.0 44,-0.3 -1,-0.2 0.914 100.4 54.3 -52.3 -43.8 33.8 13.3 57.7 82 88 A D H > S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.857 106.8 51.4 -56.8 -38.5 34.3 16.2 55.3 83 89 A E H X S+ 0 0 10 -4,-1.0 4,-2.1 1,-0.2 3,-0.2 0.928 111.6 45.3 -68.1 -41.8 38.0 16.2 56.1 84 90 A L H < S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.767 114.2 49.9 -74.2 -24.4 38.3 12.5 55.4 85 91 A Q H < S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.730 118.9 37.0 -83.3 -24.2 36.3 12.8 52.2 86 92 A H H < S+ 0 0 136 -4,-1.5 2,-0.4 -3,-0.2 -2,-0.2 0.715 111.3 53.9-101.6 -20.2 38.4 15.7 50.9 87 93 A Y S >< S- 0 0 154 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.1 -0.922 77.2-117.6-126.3 141.7 41.9 15.0 51.9 88 94 A C T 3 S+ 0 0 101 -2,-0.4 99,-0.1 1,-0.2 -3,-0.1 -0.337 82.8 5.3 -71.2 146.6 44.2 11.9 51.4 89 95 A H T 3 S- 0 0 169 -5,-0.1 98,-0.3 97,-0.1 -1,-0.2 0.683 108.9 -80.4 62.5 23.0 45.7 9.7 54.0 90 96 A G S < S- 0 0 15 -3,-0.6 2,-0.2 -6,-0.2 95,-0.2 -0.121 72.5 -28.3 84.5-177.9 44.1 11.2 57.2 91 97 A L - 0 0 18 93,-3.3 5,-0.1 1,-0.1 96,-0.0 -0.545 63.8-104.0 -83.1 139.0 44.7 14.2 59.4 92 98 A E > - 0 0 101 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.272 40.5-115.1 -54.2 143.3 48.1 15.8 59.9 93 99 A S H > S+ 0 0 74 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.899 110.4 49.2 -65.3 -46.2 49.4 14.7 63.3 94 100 A K H > S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.876 116.2 46.1 -56.5 -38.3 49.5 18.1 65.2 95 101 A R H > S+ 0 0 107 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.847 108.0 56.2 -75.3 -35.2 45.9 18.8 64.0 96 102 A L H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.948 106.2 50.9 -58.2 -51.4 44.7 15.3 64.9 97 103 A R H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.904 109.6 49.8 -52.5 -47.1 45.9 15.7 68.5 98 104 A K H X S+ 0 0 71 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.903 112.8 47.2 -62.0 -44.7 44.1 19.1 68.8 99 105 A Y H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.933 112.4 49.4 -58.8 -52.7 40.8 17.5 67.4 100 106 A L H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.887 108.0 52.7 -58.0 -43.4 41.0 14.5 69.7 101 107 A F H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 112.9 44.5 -58.4 -43.3 41.6 16.5 72.9 102 108 A Q H X S+ 0 0 4 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.891 112.4 51.8 -73.7 -34.8 38.5 18.6 72.1 103 109 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.936 112.1 47.9 -61.2 -44.5 36.5 15.5 71.2 104 110 A L H X S+ 0 0 5 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.850 104.7 57.1 -65.3 -40.4 37.6 14.0 74.5 105 111 A R H X S+ 0 0 42 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.952 111.4 46.1 -53.7 -44.7 36.7 17.1 76.5 106 112 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.931 113.6 45.8 -63.0 -51.8 33.2 16.7 75.1 107 113 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.894 113.8 49.5 -62.0 -42.4 32.9 12.9 75.7 108 114 A D H X S+ 0 0 30 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.921 106.6 55.3 -62.8 -45.1 34.3 13.3 79.3 109 115 A Y H X S+ 0 0 50 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.962 113.0 43.2 -51.4 -51.8 31.9 16.1 80.1 110 116 A L H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 3,-0.3 0.906 113.5 50.1 -59.6 -45.7 29.0 13.8 79.0 111 117 A H H ><5S+ 0 0 9 -4,-3.0 3,-1.5 3,-0.2 -1,-0.2 0.838 105.9 56.3 -67.0 -30.5 30.4 10.7 80.9 112 118 A S H 3<5S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.807 110.0 47.1 -67.3 -28.1 30.9 12.8 84.1 113 119 A N T 3<5S- 0 0 73 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.241 122.3-112.0 -94.8 17.9 27.2 13.5 83.8 114 120 A N T < 5 + 0 0 94 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.817 68.6 143.8 50.1 40.9 26.4 9.8 83.1 115 121 A I < - 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0 0 38 -2,-0.6 2,-0.3 -28,-0.1 -23,-0.2 -0.976 36.6-134.9-141.9 141.2 43.0 -15.6 65.6 233 243 A Q - 0 0 99 -2,-0.3 -25,-0.0 -25,-0.1 -2,-0.0 -0.768 25.1-168.2 -93.8 142.7 46.1 -14.6 67.5 234 244 A H - 0 0 46 -2,-0.3 7,-0.1 -27,-0.0 -28,-0.0 -0.988 29.8-100.0-128.4 144.6 46.8 -10.9 68.0 235 245 A P - 0 0 65 0, 0.0 6,-0.0 0, 0.0 0, 0.0 -0.295 21.8-147.6 -57.0 143.2 49.9 -9.2 69.2 236 246 A K S S+ 0 0 146 4,-0.0 2,-0.4 5,-0.0 0, 0.0 0.645 75.6 86.8 -84.4 -21.2 49.6 -8.1 72.9 237 247 A N S > S- 0 0 83 1,-0.1 4,-2.2 2,-0.0 5,-0.1 -0.736 70.7-146.1 -89.2 132.5 51.8 -5.0 72.3 238 248 A A H > S+ 0 0 7 -2,-0.4 4,-1.8 2,-0.2 -1,-0.1 0.837 97.1 53.6 -62.8 -45.6 50.1 -1.8 71.0 239 249 A R H 4 S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.902 114.7 43.5 -59.9 -43.7 53.0 -0.6 68.9 240 250 A K H 4 S+ 0 0 73 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.886 112.0 52.2 -64.8 -43.4 53.0 -3.9 67.0 241 251 A K H < S+ 0 0 33 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.784 124.2 25.7 -75.0 -27.2 49.3 -4.2 66.7 242 252 A Y S >< S+ 0 0 12 -4,-1.8 3,-1.0 -5,-0.1 -1,-0.3 -0.719 76.5 161.4-129.3 75.5 48.8 -0.8 65.1 243 253 A P T 3 + 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.558 64.8 62.4 -84.2 -4.4 52.2 -0.3 63.6 244 254 A K T 3 S+ 0 0 94 -3,-0.1 2,-0.3 2,-0.1 -4,-0.1 0.454 93.5 83.4 -95.3 -2.1 51.3 2.4 61.1 245 255 A L S < S- 0 0 25 -3,-1.0 -3,-0.1 -6,-0.2 5,-0.0 -0.677 95.0 -90.3 -97.8 153.8 50.3 4.7 63.9 246 256 A N > - 0 0 96 -2,-0.3 4,-3.1 1,-0.1 3,-0.5 -0.348 48.9-112.5 -48.8 135.2 52.4 7.1 66.0 247 257 A G H > S+ 0 0 18 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.822 114.2 41.0 -51.6 -45.1 53.4 5.0 69.1 248 258 A L H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.779 114.0 54.7 -77.7 -25.2 51.5 6.8 71.8 249 259 A L H > S+ 0 0 6 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.927 107.4 50.1 -71.1 -43.0 48.5 7.0 69.4 250 260 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.908 107.2 56.2 -52.8 -44.3 48.8 3.2 69.0 251 261 A D H X S+ 0 0 40 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.911 109.1 45.2 -60.1 -43.4 48.8 3.0 72.8 252 262 A I H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.922 112.2 50.6 -64.9 -43.7 45.5 5.0 73.0 253 263 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.5 0.957 108.8 51.5 -63.3 -44.4 43.8 3.0 70.3 254 264 A H H < S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.0 51.8 -55.8 -40.0 44.8 -0.2 71.9 255 265 A A H < S+ 0 0 26 -4,-1.6 10,-1.9 -5,-0.2 -1,-0.2 0.779 113.2 44.6 -72.7 -26.8 43.3 1.0 75.2 256 266 A C H < S+ 0 0 0 -4,-1.9 2,-1.6 -3,-0.5 -2,-0.2 0.914 105.0 64.0 -74.8 -48.3 40.0 1.9 73.5 257 267 A L < + 0 0 1 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.569 64.2 135.0 -90.5 76.0 39.7 -1.3 71.5 258 268 A Q - 0 0 49 -2,-1.6 6,-0.2 -3,-0.2 5,-0.1 -0.992 52.3-140.2-117.9 134.3 39.3 -4.0 74.1 259 269 A I S S+ 0 0 16 -2,-0.4 -99,-0.3 -50,-0.1 -1,-0.2 0.953 90.7 68.2 -62.4 -53.3 36.6 -6.5 73.4 260 270 A D S > S- 0 0 55 1,-0.2 3,-2.5 -3,-0.1 4,-0.5 -0.571 80.1-147.6 -67.6 112.2 35.5 -6.7 77.1 261 271 A P G > S+ 0 0 30 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.867 97.1 62.6 -52.9 -34.1 33.9 -3.2 77.7 262 272 A A G 3 S+ 0 0 82 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.1 0.630 98.8 56.5 -70.2 -13.3 35.1 -3.4 81.3 263 273 A D G < S+ 0 0 96 -3,-2.5 -1,-0.3 -5,-0.1 2,-0.1 0.546 85.6 105.1 -88.0 -10.5 38.7 -3.5 80.0 264 274 A R S < S- 0 0 19 -3,-1.6 -8,-0.2 -4,-0.5 -9,-0.1 -0.439 78.1-107.4 -75.3 146.1 38.4 -0.3 78.0 265 275 A I - 0 0 37 -10,-1.9 2,-0.1 -13,-0.2 -1,-0.1 -0.317 34.5-117.0 -61.2 144.6 40.0 3.0 79.3 266 276 A S > - 0 0 47 1,-0.1 4,-1.5 -92,-0.0 5,-0.1 -0.448 21.5-114.0 -75.9 162.9 37.7 5.7 80.6 267 277 A S H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -159,-0.2 0.837 115.5 59.0 -65.3 -34.9 37.4 9.1 79.0 268 278 A S H > S+ 0 0 57 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.926 108.0 43.6 -60.2 -48.6 38.9 10.7 82.1 269 279 A D H 4 S+ 0 0 99 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.795 108.3 58.6 -71.9 -29.6 42.0 8.7 81.8 270 280 A L H >< S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.876 101.0 55.7 -62.6 -43.8 42.3 9.2 78.1 271 281 A L H 3< S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.709 110.9 46.5 -58.4 -24.9 42.4 13.0 78.6 272 282 A H T 3< S+ 0 0 138 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.170 86.0 130.6-103.3 16.1 45.4 12.5 80.9 273 283 A H S X> S- 0 0 37 -3,-1.7 3,-2.1 1,-0.1 4,-1.0 -0.370 73.1-113.7 -73.4 147.5 47.2 10.1 78.6 274 284 A E H 3> S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.802 113.3 74.4 -41.9 -37.0 50.9 10.6 77.7 275 285 A Y H 34 S+ 0 0 13 -27,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.853 108.5 31.1 -44.1 -39.9 49.7 11.3 74.1 276 286 A F H <4 S+ 0 0 0 -3,-2.1 6,-1.4 -6,-0.2 -1,-0.2 0.621 126.1 41.1 -97.5 -16.7 48.5 14.7 75.4 277 287 A T H >< S+ 0 0 68 -4,-1.0 3,-2.1 -3,-0.2 -3,-0.2 0.673 81.9 97.6-108.0 -24.6 51.1 15.4 78.2 278 288 A R T 3< S+ 0 0 164 -4,-2.6 -3,-0.1 1,-0.3 -1,-0.1 0.814 102.3 18.7 -27.8 -60.0 54.4 14.3 76.7 279 289 A D T 3 S- 0 0 73 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.055 119.0 -91.6-114.3 23.6 55.5 17.8 75.5 280 290 A G S <> S+ 0 0 28 -3,-2.1 4,-1.9 3,-0.1 5,-0.2 0.742 74.4 151.0 76.3 25.1 53.3 20.0 77.7 281 291 A F H > + 0 0 17 1,-0.2 4,-5.1 2,-0.2 5,-0.2 0.888 66.4 50.7 -60.1 -48.7 50.6 20.1 75.0 282 292 A I H > S+ 0 0 28 -6,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.867 111.8 49.5 -53.4 -44.4 47.5 20.5 77.4 283 293 A E H 4 S+ 0 0 153 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.847 119.8 36.5 -67.6 -37.9 49.3 23.4 79.1 284 294 A K H X S+ 0 0 104 -4,-1.9 4,-1.2 2,-0.1 -2,-0.2 0.866 118.8 50.7 -78.7 -39.4 50.1 25.1 75.8 285 295 A F H X S+ 0 0 5 -4,-5.1 4,-3.1 -5,-0.2 -3,-0.2 0.886 101.2 58.8 -70.2 -37.6 46.8 24.1 74.1 286 296 A M H X S+ 0 0 59 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.841 107.0 45.2 -70.1 -40.2 44.3 25.3 76.8 287 297 A P H > S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.916 113.6 50.6 -61.3 -45.2 45.3 28.9 76.8 288 298 A E H X S+ 0 0 103 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.933 114.3 46.6 -59.1 -42.2 45.3 28.9 72.9 289 299 A L H X S+ 0 0 5 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.963 112.5 47.4 -60.4 -54.0 41.8 27.3 73.1 290 300 A K H X S+ 0 0 53 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.853 113.1 50.1 -58.6 -38.9 40.5 29.8 75.7 291 301 A A H X S+ 0 0 50 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.843 107.8 52.8 -71.0 -34.9 41.9 32.8 73.7 292 302 A K H X S+ 0 0 35 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.988 110.8 46.6 -60.1 -56.8 40.3 31.6 70.4 293 303 A L H X S+ 0 0 46 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.794 116.6 46.8 -56.9 -32.7 36.9 31.3 72.0 294 304 A L H >X S+ 0 0 127 -4,-1.4 4,-1.7 -5,-0.2 3,-0.6 0.989 114.9 43.2 -63.1 -69.7 37.6 34.8 73.5 295 305 A Q H 3X S+ 0 0 69 -4,-3.1 4,-0.7 1,-0.3 -2,-0.2 0.709 120.1 44.3 -52.1 -29.9 38.9 36.4 70.2 296 306 A E H 3< S+ 0 0 59 -4,-3.1 -1,-0.3 -5,-0.2 -3,-0.2 0.795 106.1 59.6 -82.9 -35.7 36.0 34.8 68.2 297 307 A A H << S+ 0 0 83 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.845 103.4 52.8 -63.8 -35.0 33.3 35.6 70.8 298 308 A K H < 0 0 94 -4,-1.7 -1,-0.2 -5,-0.0 -2,-0.2 0.895 360.0 360.0 -64.6 -43.3 34.0 39.3 70.4 299 309 A V < 0 0 162 -4,-0.7 -3,-0.1 0, 0.0 -4,-0.0 0.635 360.0 360.0 -89.7 360.0 33.6 39.3 66.6