==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAY-12 4FFB . COMPND 2 MOLECULE: TUBULIN ALPHA-1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.AYAZ,X.YE,P.HUDDLESTON,C.A.BRAUTIGAM,L.M.RICE . 1087 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 786 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 4.9 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 68 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 407 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 6 4 1 3 4 1 2 2 0 4 1 8 3 0 3 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 2 1 4 2 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 . 4 0 0 2 2 0 0 0 2 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 . 2 0 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 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 0 132 0, 0.0 2,-0.8 0, 0.0 130,-0.6 0.000 360.0 360.0 360.0 143.2 47.8 17.6 39.0 2 2 A R - 0 0 122 129,-0.1 131,-0.2 131,-0.1 2,-0.2 -0.643 360.0-154.9 -78.9 108.3 46.4 14.7 37.0 3 3 A E - 0 0 6 -2,-0.8 131,-3.4 129,-0.1 132,-1.0 -0.468 12.4-157.5 -90.1 153.7 42.8 14.5 38.0 4 4 A V E -a 135 0A 0 48,-2.1 2,-0.5 130,-0.2 132,-0.2 -0.997 8.5-148.5-130.3 129.7 40.4 11.5 37.9 5 5 A I E -a 136 0A 1 130,-2.4 132,-1.9 -2,-0.4 2,-0.8 -0.858 8.7-148.7-101.6 123.2 36.6 11.9 37.8 6 6 A S E -b 66 0A 9 59,-2.6 61,-2.2 -2,-0.5 2,-0.5 -0.794 14.0-168.2 -97.3 108.2 34.5 9.1 39.5 7 7 A I E -b 67 0A 0 -2,-0.8 132,-1.7 130,-0.4 2,-0.5 -0.833 0.9-166.4-101.1 124.0 31.2 8.6 37.8 8 8 A N E -bc 68 139A 2 59,-3.0 61,-3.0 -2,-0.5 2,-0.4 -0.936 4.3-169.8-114.7 122.6 28.5 6.5 39.6 9 9 A V E > -b 69 0A 0 130,-1.9 4,-0.7 -2,-0.5 132,-0.5 -0.929 45.4 -4.7-117.9 130.2 25.5 5.2 37.7 10 10 A G H > S- 0 0 2 59,-2.9 4,-2.1 -2,-0.4 59,-0.2 -0.201 93.9 -58.8 90.6 179.4 22.4 3.5 39.2 11 11 A Q H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.976 134.8 42.6 -63.4 -58.6 21.3 2.3 42.6 12 12 A A H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.891 114.6 52.9 -55.8 -43.2 24.2 -0.1 43.2 13 13 A G H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.919 112.9 42.3 -60.0 -46.5 26.7 2.4 41.7 14 14 A C H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.818 115.7 48.3 -72.6 -32.6 25.6 5.3 44.0 15 15 A Q H X S+ 0 0 44 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.822 113.9 46.4 -78.9 -32.2 25.4 3.1 47.1 16 16 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.898 111.4 52.9 -70.1 -42.2 28.8 1.6 46.5 17 17 A G H X S+ 0 0 1 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.791 102.7 59.1 -62.2 -32.4 30.1 5.1 45.8 18 18 A N H X S+ 0 0 35 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.939 109.7 42.6 -59.3 -47.2 28.7 6.2 49.1 19 19 A A H X S+ 0 0 6 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.903 115.1 49.8 -66.8 -43.0 30.8 3.6 50.9 20 20 A C H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.915 113.4 45.1 -62.2 -45.3 33.9 4.4 48.7 21 21 A W H X S+ 0 0 5 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.691 110.2 56.1 -75.0 -18.4 33.6 8.2 49.4 22 22 A E H X S+ 0 0 57 -4,-1.2 4,-0.9 -5,-0.2 -1,-0.2 0.841 113.0 41.1 -74.8 -35.9 33.0 7.5 53.1 23 23 A L H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.859 113.1 51.8 -80.9 -38.0 36.3 5.6 53.2 24 24 A Y H X S+ 0 0 9 -4,-2.6 4,-1.4 1,-0.2 -3,-0.2 0.864 110.3 50.8 -65.1 -36.1 38.2 8.0 51.0 25 25 A S H <>S+ 0 0 2 -4,-1.1 5,-3.5 1,-0.2 4,-0.3 0.825 112.3 46.7 -67.6 -32.4 37.0 10.8 53.3 26 26 A L H <5S+ 0 0 58 -4,-0.9 -2,-0.2 3,-0.2 -1,-0.2 0.748 110.4 52.5 -83.0 -24.9 38.2 8.8 56.3 27 27 A E H <5S+ 0 0 5 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.798 116.7 37.3 -79.1 -30.2 41.6 8.0 54.8 28 28 A H T <5S- 0 0 0 -4,-1.4 16,-1.3 -5,-0.2 17,-0.2 0.304 114.8-109.0-106.8 6.9 42.4 11.6 53.9 29 29 A G T 5 + 0 0 0 -4,-0.3 8,-2.1 1,-0.2 2,-0.6 0.885 63.1 153.6 69.6 40.9 40.9 13.1 57.1 30 30 A I B < -G 36 0B 3 -5,-3.5 6,-0.2 6,-0.2 -1,-0.2 -0.909 33.2-146.4-105.2 120.5 37.9 14.8 55.4 31 31 A K > - 0 0 66 4,-3.3 3,-2.1 -2,-0.6 4,-0.1 -0.303 36.6 -97.1 -72.8 164.5 34.9 15.4 57.5 32 32 A P T 3 S+ 0 0 50 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.710 124.3 66.9 -56.1 -20.2 31.4 15.2 55.9 33 33 A D T 3 S- 0 0 70 2,-0.1 3,-0.1 53,-0.1 51,-0.0 0.779 117.5-112.9 -65.8 -28.2 31.6 19.0 55.6 34 34 A G S < S+ 0 0 0 -3,-2.1 28,-3.2 1,-0.4 2,-0.2 0.420 83.5 120.1 97.4 5.9 34.4 18.6 53.1 35 35 A H S S- 0 0 83 26,-0.2 -4,-3.3 1,-0.1 -1,-0.4 -0.536 72.0 -90.0 -98.7 166.8 36.6 20.2 55.8 36 36 A L B -G 30 0B 33 24,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.502 43.4-106.8 -77.3 144.0 39.7 18.8 57.5 37 37 A E > - 0 0 57 -8,-2.1 3,-1.7 -2,-0.2 4,-0.4 -0.269 58.0 -69.6 -62.8 157.5 39.3 16.8 60.7 38 38 A D T 3 S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.1 -9,-0.0 -0.301 117.7 8.9 -59.4 118.4 40.4 18.6 63.9 39 39 A G T 3 S+ 0 0 80 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.215 95.0 106.8 105.2 -12.8 44.2 19.1 64.0 40 40 A L < - 0 0 42 -3,-1.7 2,-0.7 1,-0.2 -2,-0.1 0.928 41.6-178.3 -66.4 -53.1 45.2 18.1 60.5 41 41 A S S S+ 0 0 97 -4,-0.4 -1,-0.2 19,-0.0 19,-0.1 -0.023 75.1 42.3 70.2 -31.1 46.0 21.4 58.8 42 42 A K S S- 0 0 134 -2,-0.7 5,-0.1 -3,-0.0 2,-0.0 -0.996 96.1-102.9-141.6 143.2 46.7 19.3 55.7 43 43 A P - 0 0 20 0, 0.0 -14,-0.2 0, 0.0 7,-0.1 -0.364 33.7-119.6 -63.6 146.1 44.9 16.3 54.1 44 44 A K S S+ 0 0 106 -16,-1.3 -16,-0.1 1,-0.1 -15,-0.1 0.770 108.7 42.3 -64.1 -27.6 46.5 13.0 54.8 45 45 A G S S+ 0 0 2 -17,-0.2 4,-0.1 200,-0.1 -1,-0.1 0.925 91.4 104.0 -74.7 -87.1 47.0 12.4 51.1 46 46 A G + 0 0 15 1,-0.3 198,-0.0 -18,-0.0 199,-0.0 -0.050 68.1 46.5 -48.9 140.6 48.1 15.7 49.5 47 47 A E S S+ 0 0 161 -5,-0.1 -1,-0.3 198,-0.0 198,-0.0 -0.255 126.3 42.8 -87.0 87.9 50.7 16.6 48.6 48 48 A E S S- 0 0 71 196,-0.1 2,-0.3 198,-0.0 198,-0.0 -0.175 128.3 -32.4 175.0 86.9 50.6 13.1 47.0 49 49 A G S >> S+ 0 0 10 -4,-0.1 3,-1.8 1,-0.1 4,-0.7 -0.118 105.2 95.4 98.9 -39.2 47.4 11.8 45.4 50 50 A F H 3> S+ 0 0 9 194,-0.4 4,-2.0 1,-0.3 3,-0.4 0.804 80.4 62.4 -58.5 -31.3 44.6 13.4 47.4 51 51 A S H 34 S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.719 94.1 65.1 -66.0 -21.2 44.4 16.2 44.8 52 52 A T H <4 S+ 0 0 15 -3,-1.8 -48,-2.1 191,-0.2 -1,-0.2 0.886 115.9 23.0 -71.6 -40.3 43.4 13.6 42.2 53 53 A F H < S+ 0 0 1 -4,-0.7 12,-3.1 -3,-0.4 2,-0.4 0.650 120.6 60.4-102.4 -20.0 40.1 12.6 43.7 54 54 A F E < -H 64 0C 2 -4,-2.0 2,-0.6 10,-0.3 -1,-0.1 -0.891 65.3-152.4-114.0 142.9 39.4 15.7 45.8 55 55 A H E -H 63 0C 50 8,-2.6 8,-2.7 -2,-0.4 2,-1.5 -0.932 10.9-145.2-116.6 109.9 38.9 19.2 44.5 56 56 A E E +H 62 0C 104 -2,-0.6 6,-0.2 6,-0.3 3,-0.1 -0.580 21.8 179.4 -70.7 92.9 39.8 22.1 46.9 57 57 A T E - 0 0 63 -2,-1.5 2,-0.3 4,-1.0 -1,-0.2 0.479 67.1 -16.8 -77.8 -1.4 37.0 24.4 45.7 58 58 A G E > S-H 61 0C 32 3,-1.0 3,-2.0 -3,-0.0 -1,-0.2 -0.906 103.6 -42.1 172.5 165.7 38.1 27.0 48.2 59 59 A Y T 3 S- 0 0 229 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.202 126.3 -6.3 -50.2 124.8 40.2 27.4 51.3 60 60 A G T 3 S+ 0 0 27 1,-0.1 2,-0.7 -19,-0.1 -24,-0.3 0.288 109.1 112.9 75.0 -11.5 39.6 24.5 53.7 61 61 A K E < +H 58 0C 51 -3,-2.0 -4,-1.0 -26,-0.1 -3,-1.0 -0.843 41.8 179.5-103.5 111.0 36.8 23.2 51.4 62 62 A F E -H 56 0C 10 -28,-3.2 -6,-0.3 -2,-0.7 -3,-0.0 -0.936 2.4-175.6-115.8 117.5 37.5 19.9 49.7 63 63 A V E -H 55 0C 4 -8,-2.7 -8,-2.6 -2,-0.5 25,-0.1 -0.955 28.7-113.1-119.5 127.5 34.9 18.3 47.4 64 64 A P E -H 54 0C 0 0, 0.0 2,-2.0 0, 0.0 -10,-0.3 -0.214 24.0-122.6 -54.3 136.2 35.2 14.9 45.7 65 65 A R + 0 0 20 -12,-3.1 -59,-2.6 -61,-0.2 2,-0.3 -0.554 68.6 131.1 -79.3 75.7 35.5 14.9 41.9 66 66 A A E -b 6 0A 0 -2,-2.0 2,-0.4 -61,-0.2 -59,-0.2 -0.926 45.5-160.1-135.8 154.3 32.4 12.7 41.6 67 67 A I E -b 7 0A 0 -61,-2.2 -59,-3.0 -2,-0.3 2,-0.4 -0.964 10.3-158.0-136.7 117.2 29.1 12.5 39.6 68 68 A Y E -bd 8 93A 0 24,-2.3 26,-2.2 -2,-0.4 2,-0.4 -0.784 11.3-172.6 -93.0 136.5 26.1 10.5 40.7 69 69 A V E +bd 9 94A 0 -61,-3.0 -59,-2.9 -2,-0.4 2,-0.3 -0.995 14.8 151.7-131.2 131.1 23.6 9.4 38.1 70 70 A D E - d 0 95A 3 24,-1.4 26,-1.4 -2,-0.4 -2,-0.0 -0.959 38.7-144.1-155.7 137.9 20.2 7.7 38.7 71 71 A L S S+ 0 0 2 -2,-0.3 27,-0.3 24,-0.2 24,-0.1 0.761 92.3 58.0 -77.3 -24.8 16.9 7.7 36.8 72 72 A E S S- 0 0 19 25,-0.1 4,-0.4 23,-0.1 3,-0.2 -0.790 78.4-141.8 -98.0 149.4 14.9 7.5 40.1 73 73 A P S > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.578 81.6 89.9 -84.2 -7.8 15.4 10.3 42.7 74 74 A N H > S+ 0 0 96 2,-0.2 4,-1.1 1,-0.2 21,-0.0 0.923 88.0 38.1 -56.5 -59.2 15.1 7.8 45.6 75 75 A V H > S+ 0 0 7 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.924 120.2 46.0 -62.3 -47.1 18.7 6.7 46.1 76 76 A I H >> S+ 0 0 0 -4,-0.4 4,-2.2 1,-0.2 3,-0.8 0.835 103.4 63.1 -68.3 -34.3 20.3 10.1 45.5 77 77 A D H 3X S+ 0 0 60 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.843 96.6 60.0 -57.9 -34.4 17.7 11.9 47.7 78 78 A E H 3< S+ 0 0 128 -4,-1.1 4,-0.4 -3,-0.5 -1,-0.3 0.844 106.5 46.8 -61.5 -33.8 19.2 9.9 50.6 79 79 A V H X< S+ 0 0 6 -3,-0.8 3,-0.7 -4,-0.7 -2,-0.2 0.912 110.1 52.1 -72.1 -43.6 22.5 11.5 49.8 80 80 A R H 3< S+ 0 0 70 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.736 121.4 33.5 -63.9 -24.2 20.9 15.0 49.6 81 81 A N T 3< S+ 0 0 117 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.343 105.2 94.6-113.2 3.1 19.3 14.4 53.0 82 82 A G S X S- 0 0 15 -3,-0.7 3,-1.3 -4,-0.4 4,-0.1 -0.110 94.6 -89.5 -87.1-174.4 22.0 12.4 54.6 83 83 A P T 3 S+ 0 0 105 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.626 127.1 54.4 -71.5 -14.9 25.0 13.2 56.8 84 84 A Y T >> S+ 0 0 55 -5,-0.2 4,-1.0 1,-0.2 3,-0.6 0.006 70.1 116.7-105.4 25.9 27.1 13.8 53.7 85 85 A K T <4 S+ 0 0 109 -3,-1.3 -1,-0.2 1,-0.2 -52,-0.1 0.716 80.2 45.8 -65.8 -20.3 24.7 16.2 52.2 86 86 A D T 34 S+ 0 0 91 -3,-0.3 -1,-0.2 -54,-0.2 -2,-0.1 0.586 96.9 73.6 -98.5 -14.4 27.4 18.9 52.4 87 87 A L T <4 S+ 0 0 2 -3,-0.6 2,-0.2 -24,-0.1 -2,-0.2 0.961 96.6 48.3 -64.1 -53.5 30.2 16.8 50.9 88 88 A F S < S- 0 0 7 -4,-1.0 -23,-0.1 -9,-0.1 -21,-0.0 -0.600 88.8-116.6 -88.0 147.9 28.9 16.9 47.4 89 89 A H > - 0 0 79 -25,-0.2 3,-2.3 -2,-0.2 4,-0.4 -0.644 27.9-121.6 -73.8 142.6 27.9 19.9 45.5 90 90 A P G > S+ 0 0 112 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.755 111.9 65.2 -58.0 -25.5 24.2 19.7 44.5 91 91 A E G 3 S+ 0 0 83 1,-0.2 31,-0.0 3,-0.1 3,-0.0 0.607 95.7 58.9 -72.6 -12.1 25.2 20.1 40.9 92 92 A Q G < S+ 0 0 10 -3,-2.3 -24,-2.3 1,-0.1 2,-0.8 0.589 90.1 75.2 -93.7 -13.3 27.0 16.7 41.1 93 93 A L E < -d 68 0A 12 -3,-0.9 2,-0.5 -4,-0.4 -24,-0.1 -0.840 66.2-176.8-105.5 99.5 23.9 14.7 42.1 94 94 A I E +d 69 0A 7 -26,-2.2 -24,-1.4 -2,-0.8 2,-0.3 -0.825 5.7 169.0-105.1 130.1 21.7 14.2 39.1 95 95 A S E -d 70 0A 39 -2,-0.5 -24,-0.2 -26,-0.2 2,-0.1 -0.974 20.5-149.8-139.0 151.8 18.4 12.4 39.1 96 96 A G - 0 0 23 -26,-1.4 3,-0.1 -2,-0.3 16,-0.0 -0.214 28.1-116.4 -97.8-164.8 15.4 11.8 36.9 97 97 A K S S+ 0 0 116 1,-0.3 2,-0.4 -25,-0.2 342,-0.3 0.676 94.6 31.6-109.4 -27.4 11.7 11.3 37.9 98 98 A E S S- 0 0 24 -27,-0.3 -1,-0.3 -26,-0.1 -2,-0.0 -0.991 77.2-134.8-133.0 144.0 11.2 7.7 36.7 99 99 A D - 0 0 6 -2,-0.4 12,-0.1 -3,-0.1 -2,-0.0 -0.141 27.4-104.4 -90.6-175.4 13.7 4.8 36.4 100 100 A A > - 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f 0 206A 6 -2,-1.3 34,-2.4 32,-0.8 35,-0.2 -0.358 26.6-107.2 -58.0 130.2 28.1 -8.8 38.3 174 174 A P - 0 0 14 0, 0.0 34,-0.2 0, 0.0 -1,-0.1 -0.268 33.4-166.1 -68.6 146.0 24.6 -10.1 39.0 175 175 A A > - 0 0 1 32,-0.1 3,-1.0 1,-0.1 4,-0.2 -1.000 24.6-135.7-135.7 135.5 23.9 -12.8 41.6 176 176 A P G > S+ 0 0 57 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.775 101.8 63.5 -57.9 -31.0 20.7 -14.8 42.1 177 177 A Q G 3 S+ 0 0 76 1,-0.2 31,-0.0 -3,-0.0 0, 0.0 0.822 120.1 21.2 -65.7 -34.3 20.9 -14.5 45.9 178 178 A V G < S+ 0 0 13 -3,-1.0 -1,-0.2 46,-0.0 30,-0.0 0.051 93.6 140.4-121.7 22.6 20.6 -10.7 45.9 179 179 A S < - 0 0 22 -3,-0.7 3,-0.1 -4,-0.2 597,-0.0 -0.250 33.3-172.1 -67.8 155.4 18.9 -10.3 42.5 180 180 A T + 0 0 42 1,-0.2 2,-0.3 599,-0.1 -1,-0.1 0.272 69.3 42.6-125.5 4.0 16.1 -7.8 41.9 181 181 A S > - 0 0 3 1,-0.1 3,-0.7 507,-0.0 -1,-0.2 -0.997 59.1-145.2-155.9 144.4 15.1 -8.9 38.4 182 182 A V T 3 S+ 0 0 2 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.768 103.4 58.2 -78.0 -26.4 14.6 -12.0 36.3 183 183 A V T 3> + 0 0 0 1,-0.2 4,-1.9 2,-0.1 3,-0.4 0.168 68.5 113.6 -94.4 18.1 16.0 -10.3 33.2 184 184 A E H <> S+ 0 0 18 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.847 72.6 57.4 -55.4 -38.9 19.4 -9.6 34.8 185 185 A P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.889 106.4 50.8 -60.1 -37.5 21.1 -12.0 32.4 186 186 A Y H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.971 111.4 45.9 -59.9 -57.0 19.7 -10.0 29.5 187 187 A N H X S+ 0 0 0 -4,-1.9 4,-1.9 -44,-0.2 5,-0.2 0.896 112.8 51.8 -52.1 -47.1 21.0 -6.6 30.9 188 188 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.938 111.1 44.3 -58.8 -53.9 24.4 -8.1 31.7 189 189 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.853 112.5 55.2 -62.2 -34.6 25.1 -9.5 28.2 190 190 A L H X S+ 0 0 3 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.881 112.2 39.4 -67.2 -41.5 23.8 -6.4 26.6 191 191 A T H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 5,-0.2 0.909 108.9 58.8 -77.0 -44.4 26.1 -3.9 28.4 192 192 A T H < S+ 0 0 3 -4,-2.2 3,-0.3 1,-0.3 4,-0.2 0.838 108.9 48.8 -53.9 -34.5 29.2 -6.1 28.3 193 193 A H H < S+ 0 0 54 -4,-1.2 3,-0.4 -5,-0.2 -1,-0.3 0.858 114.6 43.8 -70.0 -37.9 28.8 -6.0 24.6 194 194 A T H < S+ 0 0 24 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.365 119.9 41.2 -94.3 5.2 28.4 -2.2 24.5 195 195 A T S >< S+ 0 0 2 -4,-1.0 3,-0.9 -3,-0.3 -1,-0.2 0.221 85.0 96.7-127.6 8.7 31.2 -1.5 27.0 196 196 A L T 3 S+ 0 0 4 -3,-0.4 3,-0.1 1,-0.2 -2,-0.1 0.694 97.3 31.5 -75.7 -18.6 33.7 -4.1 25.6 197 197 A E T 3 S+ 0 0 150 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.061 113.4 63.0-123.5 22.9 35.5 -1.4 23.6 198 198 A H S < S+ 0 0 54 -3,-0.9 2,-0.3 1,-0.1 -2,-0.1 -0.020 91.5 69.6-135.0 28.8 34.8 1.6 25.9 199 199 A A - 0 0 11 -3,-0.1 3,-0.2 1,-0.1 -31,-0.2 -0.967 55.0-162.1-148.8 130.3 36.8 0.4 28.9 200 200 A D S S+ 0 0 46 -33,-2.4 2,-0.2 -2,-0.3 -32,-0.2 0.775 87.2 1.7 -84.1 -27.3 40.5 0.1 29.4 201 201 A C E -f 168 0A 0 -34,-1.0 -32,-2.1 67,-0.0 2,-0.6 -0.794 67.7-161.4-163.4 116.6 40.3 -2.2 32.4 202 202 A T E -f 169 0A 1 65,-3.0 2,-0.7 -2,-0.2 -32,-0.2 -0.892 6.0-155.1-108.5 120.0 37.1 -3.5 34.1 203 203 A F E -f 170 0A 3 -34,-3.5 -32,-1.9 -2,-0.6 2,-0.4 -0.828 19.2-143.7 -92.2 117.5 37.1 -4.9 37.6 204 204 A M E -f 171 0A 3 65,-0.7 2,-0.6 -2,-0.7 67,-0.3 -0.659 11.5-164.0 -88.3 130.4 34.3 -7.3 38.0 205 205 A V E -f 172 0A 7 -34,-3.9 -32,-0.8 -2,-0.4 2,-0.7 -0.868 6.4-159.4-115.0 98.0 32.4 -7.5 41.3 206 206 A D E >> -f 173 0A 6 94,-2.1 4,-1.9 -2,-0.6 3,-1.0 -0.666 8.8-151.3 -77.7 115.3 30.3 -10.7 41.6 207 207 A N H 3> S+ 0 0 23 -34,-2.4 4,-1.5 -2,-0.7 -1,-0.2 0.687 94.7 60.5 -60.0 -19.0 27.6 -10.1 44.2 208 208 A E H 3> S+ 0 0 44 -35,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.846 105.6 45.7 -77.8 -35.2 27.7 -13.9 45.0 209 209 A A H <> S+ 0 0 4 -3,-1.0 4,-1.7 91,-0.4 -2,-0.2 0.922 114.8 46.4 -72.2 -46.4 31.3 -13.8 46.0 210 210 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 90,-0.4 -2,-0.2 0.867 112.2 53.7 -62.1 -38.3 30.9 -10.7 48.1 211 211 A Y H X S+ 0 0 6 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.963 111.8 41.9 -59.7 -55.1 27.8 -12.2 49.7 212 212 A D H X S+ 0 0 41 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.738 111.9 56.1 -70.6 -23.3 29.5 -15.4 50.7 213 213 A M H X>S+ 0 0 8 -4,-1.7 5,-1.2 2,-0.2 4,-1.0 0.886 109.0 46.2 -72.5 -40.3 32.5 -13.6 51.9 214 214 A C H <5S+ 0 0 0 -4,-2.0 6,-1.7 3,-0.2 -2,-0.2 0.807 115.7 48.9 -66.2 -31.2 30.4 -11.5 54.2 215 215 A K H <5S+ 0 0 78 -4,-1.6 -2,-0.2 4,-0.2 4,-0.2 0.917 122.7 28.5 -76.4 -45.8 28.7 -14.7 55.3 216 216 A R H <5S+ 0 0 202 -4,-2.6 3,-0.4 3,-0.2 -3,-0.2 0.984 130.5 29.0 -80.1 -69.2 31.8 -16.7 56.0 217 217 A N T <5S+ 0 0 64 -4,-1.0 61,-0.3 -5,-0.3 -3,-0.2 0.848 130.1 38.8 -65.0 -36.9 34.6 -14.4 57.0 218 218 A L S - 0 0 60 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.305 33.4 -94.2 -87.1 177.8 22.5 -6.6 53.4 225 225 A F H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.831 128.1 57.1 -62.3 -32.1 23.5 -4.3 50.6 226 226 A A H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 106.0 49.9 -64.6 -39.7 25.2 -2.1 53.2 227 227 A N H > S+ 0 0 27 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.944 112.2 46.4 -62.2 -50.3 27.3 -5.1 54.3 228 228 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.890 112.6 50.6 -58.1 -43.7 28.3 -5.9 50.7 229 229 A N H X S+ 0 0 14 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.816 104.7 56.7 -69.6 -32.3 29.2 -2.3 50.0 230 230 A N H X S+ 0 0 29 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.930 112.2 42.0 -62.0 -45.7 31.3 -2.0 53.1 231 231 A L H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.926 113.8 52.5 -65.2 -47.2 33.5 -4.9 51.9 232 232 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 3,-0.5 0.914 108.6 49.2 -57.4 -47.8 33.5 -3.7 48.3 233 233 A A H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.873 106.0 57.7 -59.3 -39.7 34.7 -0.2 49.3 234 234 A Q H X S+ 0 0 10 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.837 113.2 40.4 -60.6 -33.3 37.5 -1.7 51.4 235 235 A V H X S+ 0 0 5 -4,-1.4 4,-2.1 -3,-0.5 3,-0.3 0.926 115.0 48.5 -80.6 -49.6 38.7 -3.5 48.3 236 236 A V H X S+ 0 0 11 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.892 109.7 54.0 -58.2 -41.9 38.2 -0.7 45.8 237 237 A S H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.6 48.7 -58.8 -36.1 40.0 1.7 48.2 238 238 A S H >< S+ 0 0 3 -4,-0.7 3,-0.8 -3,-0.3 4,-0.4 0.840 108.6 53.1 -73.0 -35.2 42.9 -0.8 48.3 239 239 A V H 3< S+ 0 0 2 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.875 118.4 35.7 -66.2 -38.0 42.9 -1.0 44.5 240 240 A T T 3X S+ 0 0 3 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.067 87.7 102.1-105.7 23.1 43.2 2.8 44.2 241 241 A A H <> S+ 0 0 1 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.868 78.0 55.6 -73.2 -36.7 45.4 3.4 47.2 242 242 A S H 4 S+ 0 0 10 -4,-0.4 5,-0.2 -3,-0.3 -1,-0.2 0.718 105.9 53.5 -69.0 -21.5 48.5 3.8 45.1 243 243 A L H 4 S+ 0 0 11 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.841 116.0 37.3 -77.7 -35.3 46.7 6.6 43.2 244 244 A R H < S+ 0 0 0 -4,-1.1 -194,-0.4 -3,-0.1 -2,-0.2 0.589 126.7 21.8 -94.6 -13.4 45.9 8.5 46.4 245 245 A F S < S- 0 0 8 -4,-1.6 2,-0.6 -196,-0.2 -200,-0.1 -0.609 109.9 -39.3-136.2-166.0 49.1 7.8 48.3 246 246 A D - 0 0 54 -2,-0.2 2,-0.4 2,-0.0 110,-0.2 -0.529 66.3-173.6 -66.6 112.2 52.7 6.8 48.0 247 247 A G + 0 0 31 -2,-0.6 107,-0.1 -5,-0.2 3,-0.1 -0.898 34.1 178.7-117.0 140.8 52.7 4.2 45.2 248 248 A S S S+ 0 0 76 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.318 83.0 32.6-112.7 1.5 55.4 2.0 43.8 249 249 A L S S+ 0 0 17 104,-0.1 -1,-0.3 1,-0.1 103,-0.1 -0.958 119.9 10.5-158.1 140.2 53.1 0.3 41.4 250 250 A N + 0 0 0 -2,-0.3 -8,-0.1 1,-0.1 -1,-0.1 0.915 65.2 151.8 56.0 50.1 50.0 1.5 39.4 251 251 A V + 0 0 68 -4,-0.1 2,-0.3 -8,-0.1 -1,-0.1 0.285 63.6 53.6 -87.3 10.3 50.5 5.2 40.2 252 252 A D S >> S- 0 0 35 1,-0.1 3,-0.6 -118,-0.0 4,-0.6 -0.997 79.7-131.0-148.3 139.0 48.7 5.9 37.0 253 253 A L H >> S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 4,-0.8 0.882 113.5 54.9 -57.1 -38.6 45.4 4.9 35.4 254 254 A N H 3> S+ 0 0 79 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.779 94.5 68.1 -66.8 -27.6 47.3 4.1 32.3 255 255 A E H <> S+ 0 0 61 -3,-0.6 4,-2.6 1,-0.2 -1,-0.3 0.732 93.1 61.3 -64.5 -22.0 49.6 1.8 34.3 256 256 A F H S+ 0 0 1 -3,-1.1 4,-2.2 -4,-0.6 5,-0.6 0.946 105.8 42.3 -69.4 -50.1 46.6 -0.5 34.8 257 257 A Q H X5S+ 0 0 34 -4,-0.8 4,-1.1 1,-0.2 -2,-0.2 0.858 118.4 49.6 -62.9 -35.2 46.1 -1.2 31.1 258 258 A T H <5S+ 0 0 99 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.8 36.6 -69.5 -45.1 49.9 -1.6 30.8 259 259 A N H <5S+ 0 0 16 -4,-2.6 54,-0.2 -5,-0.1 -2,-0.2 0.721 130.9 24.8 -82.9 -23.3 50.3 -4.0 33.7 260 260 A L H <5S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.742 106.1 67.9-116.9 -33.4 47.2 -6.1 33.4 261 261 A V << + 0 0 27 -4,-1.1 -1,-0.1 -5,-0.6 6,-0.1 -0.832 37.7 172.6-104.5 123.6 45.9 -6.1 29.8 262 262 A P S S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.835 81.2 22.5 -84.1 -42.8 47.8 -7.8 26.9 263 263 A Y S S- 0 0 126 3,-0.5 3,-0.3 1,-0.1 0, 0.0 -0.895 84.3-115.9-124.6 153.6 45.0 -7.2 24.4 264 264 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.919 111.7 49.5 -54.2 -52.5 42.1 -4.7 24.5 265 265 A R S S+ 0 0 60 1,-0.2 2,-1.1 2,-0.1 164,-0.0 0.785 101.5 68.6 -64.3 -30.2 39.2 -7.1 24.8 266 266 A I + 0 0 6 -3,-0.3 -3,-0.5 1,-0.1 -1,-0.2 -0.787 58.7 121.2 -91.3 97.5 40.9 -8.9 27.7 267 267 A H + 0 0 1 -2,-1.1 -65,-3.0 -6,-0.1 -1,-0.1 -0.065 33.4 109.8-148.7 36.5 40.8 -6.4 30.5 268 268 A F - 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