==== 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 LYASE 28-MAR-03 1OWL . COMPND 2 MOLECULE: DEOXYRIBODIPYRIMIDINE PHOTOLYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR H.KOMORI,S.ADACHI,K.MIKI,A.EKER,R.KORT . 473 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 2 1 3 1 2 1 0 3 1 0 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A A 0 0 69 0, 0.0 27,-0.2 0, 0.0 90,-0.2 0.000 360.0 360.0 360.0 84.6 22.3 -8.2 60.9 2 4 A P - 0 0 0 0, 0.0 90,-2.6 0, 0.0 91,-0.8 -0.325 360.0-126.5 -82.0 168.8 23.4 -4.6 61.3 3 5 A I E -ab 29 93A 0 25,-2.6 27,-2.3 88,-0.2 2,-0.4 -0.973 18.9-146.7-117.6 130.8 26.3 -2.9 59.4 4 6 A L E -ab 30 94A 0 89,-2.3 91,-3.1 -2,-0.5 2,-0.6 -0.803 4.1-156.8 -97.5 135.5 29.0 -1.2 61.4 5 7 A F E -ab 31 95A 0 25,-2.6 27,-2.2 -2,-0.4 2,-0.8 -0.955 9.7-150.9-115.4 117.0 30.7 1.9 60.1 6 8 A W E -ab 32 96A 5 89,-3.1 91,-0.5 -2,-0.6 2,-0.3 -0.760 10.3-159.2 -91.7 108.7 34.1 2.6 61.6 7 9 A H E +a 33 0A 0 25,-2.8 27,-0.5 -2,-0.8 4,-0.1 -0.628 29.1 146.3 -86.0 144.1 35.0 6.3 61.7 8 10 A R S S- 0 0 24 -2,-0.3 -1,-0.2 25,-0.1 3,-0.1 0.432 83.5 -3.4-138.1 -64.3 38.7 7.3 62.0 9 11 A R S S+ 0 0 58 88,-0.1 -2,-0.1 1,-0.1 240,-0.0 -0.120 117.0 79.1-129.9 36.9 39.4 10.6 60.1 10 12 A D + 0 0 4 239,-0.1 2,-2.1 241,-0.0 238,-0.3 -0.439 54.4 169.2-139.9 56.7 36.0 11.1 58.6 11 13 A L + 0 0 2 236,-2.6 2,-0.3 -3,-0.1 197,-0.2 -0.449 46.0 80.5 -79.9 72.2 34.1 12.6 61.5 12 14 A R - 0 0 2 -2,-2.1 238,-0.1 195,-0.1 237,-0.1 -0.953 67.6-138.8-163.3 162.0 30.9 13.7 59.7 13 15 A L S S+ 0 0 3 -2,-0.3 3,-0.4 236,-0.1 2,-0.1 0.675 80.3 80.3-101.9 -24.1 27.7 12.1 58.4 14 16 A S S S+ 0 0 6 1,-0.2 150,-0.1 151,-0.2 3,-0.1 -0.447 98.8 3.1 -85.9 157.9 27.6 14.0 55.2 15 17 A D S S+ 0 0 1 148,-1.0 2,-0.6 1,-0.2 238,-0.3 0.809 83.0 150.1 35.0 54.7 29.5 13.3 51.9 16 18 A N > - 0 0 0 -3,-0.4 4,-2.8 148,-0.3 5,-0.3 -0.943 35.9-157.1-117.1 110.0 31.1 10.2 53.3 17 19 A I H > S+ 0 0 41 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.926 91.0 38.7 -51.7 -58.8 31.9 7.5 50.7 18 20 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 116.8 51.6 -63.5 -36.8 32.0 4.4 52.9 19 21 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 111.2 46.5 -67.2 -43.9 29.1 5.5 55.0 20 22 A A H X S+ 0 0 21 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.884 112.0 51.8 -65.4 -38.2 26.8 6.2 52.0 21 23 A A H X S+ 0 0 32 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.899 110.5 48.9 -65.1 -39.4 27.8 2.9 50.5 22 24 A A H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-1.4 0.918 107.8 53.7 -65.8 -43.4 26.9 1.1 53.8 23 25 A R H 3< S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 100.5 61.0 -61.7 -30.9 23.6 2.9 54.0 24 26 A A H 3< S+ 0 0 84 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.727 110.6 42.4 -68.1 -19.6 22.7 1.7 50.5 25 27 A Q H << S+ 0 0 114 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.746 127.9 4.0 -96.4 -30.9 23.1 -1.9 51.9 26 28 A S < - 0 0 20 -4,-1.8 -1,-0.3 1,-0.1 3,-0.0 -0.982 40.2-153.0-159.8 146.2 21.3 -1.4 55.3 27 29 A A S S+ 0 0 29 -2,-0.3 143,-2.5 1,-0.2 2,-2.3 0.623 89.4 83.3 -89.3 -18.4 19.3 1.0 57.4 28 30 A Q + 0 0 43 141,-0.2 -25,-2.6 -27,-0.2 2,-0.6 -0.503 67.4 155.6 -84.4 67.9 20.5 -0.8 60.6 29 31 A L E -a 3 0A 0 -2,-2.3 2,-0.5 -27,-0.2 41,-0.3 -0.893 21.9-175.0-104.8 116.5 23.6 1.3 60.3 30 32 A I E -a 4 0A 0 -27,-2.3 -25,-2.6 -2,-0.6 41,-0.2 -0.945 13.8-143.0-116.2 128.1 25.6 1.9 63.5 31 33 A G E -ac 5 71A 0 39,-1.8 41,-3.6 -2,-0.5 2,-0.3 -0.476 18.1-172.6 -86.4 158.2 28.7 4.1 63.7 32 34 A L E -ac 6 72A 0 -27,-2.2 -25,-2.8 39,-0.3 2,-0.4 -0.997 14.7-170.0-150.3 150.4 31.7 3.5 65.8 33 35 A F E -ac 7 73A 18 39,-2.1 41,-2.4 -2,-0.3 2,-0.6 -0.993 12.9-153.3-139.4 134.0 34.9 5.1 66.9 34 36 A C E - c 0 74A 10 -27,-0.5 2,-1.1 -2,-0.4 41,-0.2 -0.938 12.2-141.4-115.5 117.6 37.7 3.4 68.7 35 37 A L E - c 0 75A 8 39,-3.6 41,-1.7 -2,-0.6 3,-0.0 -0.669 27.0-155.4 -75.8 103.0 40.1 5.4 71.0 36 38 A D >> - 0 0 5 -2,-1.1 4,-2.5 39,-0.2 3,-2.3 -0.740 12.2-150.3 -87.4 112.1 43.3 3.5 70.1 37 39 A P H 3> S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.817 96.3 61.4 -50.9 -34.2 46.0 3.7 72.8 38 40 A Q H 34 S+ 0 0 124 2,-0.2 39,-0.0 1,-0.2 -3,-0.0 0.747 115.3 34.1 -66.8 -20.5 48.8 3.5 70.2 39 41 A I H X4 S+ 0 0 47 -3,-2.3 3,-1.1 2,-0.1 -1,-0.2 0.879 121.8 43.3 -95.1 -55.3 47.5 6.7 68.7 40 42 A L H 3< S+ 0 0 18 -4,-2.5 -2,-0.2 1,-0.2 5,-0.1 0.816 117.4 45.2 -62.1 -35.3 46.3 8.6 71.8 41 43 A Q T 3< S+ 0 0 163 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.1 0.426 84.3 122.3 -92.0 1.9 49.2 7.8 74.0 42 44 A S X - 0 0 52 -3,-1.1 3,-1.6 1,-0.2 -3,-0.1 -0.329 68.6-131.0 -64.1 144.8 51.9 8.5 71.4 43 45 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.2 3,-0.0 -4,-0.0 0.661 107.6 63.3 -69.0 -13.2 54.4 11.1 72.3 44 46 A D T 3 S+ 0 0 57 -5,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.298 75.9 111.0 -95.5 9.8 53.6 12.6 68.9 45 47 A M < - 0 0 23 -3,-1.6 329,-0.1 -5,-0.1 3,-0.1 -0.646 61.7-138.7 -83.5 140.5 50.0 13.4 69.7 46 48 A A >> - 0 0 0 -2,-0.3 4,-2.0 330,-0.2 3,-0.6 -0.854 7.7-138.9-103.5 133.6 49.1 17.1 69.9 47 49 A P H 3> S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.902 106.1 55.4 -53.6 -42.3 46.8 18.4 72.7 48 50 A A H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 107.2 50.1 -59.3 -36.6 45.1 20.7 70.2 49 51 A R H <> S+ 0 0 14 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.894 109.1 50.0 -71.1 -38.8 44.4 17.8 67.9 50 52 A V H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.916 111.8 50.4 -64.8 -39.6 42.9 15.8 70.7 51 53 A A H X S+ 0 0 10 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.934 113.2 43.7 -62.7 -48.0 40.7 18.8 71.6 52 54 A Y H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 155,-0.2 0.939 115.1 50.3 -63.2 -46.6 39.5 19.2 68.0 53 55 A L H X S+ 0 0 15 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.939 109.5 50.1 -54.8 -52.5 39.0 15.5 67.6 54 56 A Q H X S+ 0 0 24 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.895 110.2 50.8 -56.7 -42.1 36.9 15.3 70.8 55 57 A G H X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.865 109.0 51.0 -65.2 -36.5 34.8 18.2 69.7 56 58 A C H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 152,-0.3 0.892 108.7 52.3 -67.5 -38.8 34.1 16.6 66.3 57 59 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.852 102.5 58.4 -66.7 -35.2 33.1 13.3 68.1 58 60 A Q H X S+ 0 0 94 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.925 110.6 43.0 -61.1 -43.4 30.6 15.2 70.3 59 61 A E H X S+ 0 0 30 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.903 110.5 55.1 -69.8 -39.1 28.8 16.4 67.2 60 62 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.866 103.5 56.1 -61.8 -35.8 29.0 13.1 65.4 61 63 A Q H X S+ 0 0 64 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.930 110.9 44.9 -60.4 -44.4 27.3 11.4 68.4 62 64 A Q H X S+ 0 0 117 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.909 108.8 55.5 -65.8 -44.0 24.4 13.8 68.0 63 65 A R H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.900 109.5 47.1 -57.3 -42.1 24.2 13.4 64.2 64 66 A Y H X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-1.4 0.898 111.4 50.5 -67.0 -40.9 23.8 9.6 64.6 65 67 A Q H <5S+ 0 0 133 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.941 113.5 46.0 -62.1 -44.6 21.2 10.0 67.3 66 68 A Q H <5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 109.5 55.6 -66.7 -32.2 19.3 12.5 65.0 67 69 A A H <5S- 0 0 16 -4,-2.0 102,-2.6 -5,-0.2 -1,-0.2 0.751 127.0 -95.8 -73.0 -24.3 19.7 10.1 62.1 68 70 A G T <5S+ 0 0 30 -4,-1.4 103,-0.6 -3,-0.4 -3,-0.2 0.353 95.8 45.9 128.6 -9.4 18.1 7.3 64.0 69 71 A S S > - 0 0 46 -2,-0.3 4,-2.9 1,-0.1 3,-1.4 -0.590 51.2-148.6 -77.0 119.2 43.2 -2.3 70.3 78 80 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.879 92.9 55.7 -53.1 -49.2 41.2 -2.2 67.1 79 81 A Q H 34 S+ 0 0 68 1,-0.2 -2,-0.1 2,-0.2 5,-0.0 0.639 118.6 36.6 -66.3 -9.2 42.0 -5.6 65.7 80 82 A H H <> S+ 0 0 113 -3,-1.4 4,-1.6 3,-0.1 -1,-0.2 0.821 122.5 39.0-101.8 -53.9 40.7 -7.2 68.9 81 83 A L H X S+ 0 0 30 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.867 112.3 52.6 -68.2 -41.0 37.8 -4.9 69.8 82 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.932 111.7 44.5 -66.7 -43.9 36.2 -4.3 66.4 83 85 A P H > S+ 0 0 14 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.935 114.7 50.3 -64.8 -41.6 36.0 -8.0 65.4 84 86 A Q H X S+ 0 0 84 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.901 112.2 47.6 -60.3 -41.5 34.6 -8.9 68.8 85 87 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.936 112.9 47.9 -64.8 -47.6 32.1 -6.1 68.5 86 88 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.5 0.919 113.2 48.3 -60.2 -44.5 31.1 -7.2 65.0 87 89 A Q H ><5S+ 0 0 117 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.911 109.2 51.6 -63.8 -44.6 30.8 -10.8 66.1 88 90 A Q H 3<5S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 115.3 43.9 -64.0 -22.7 28.7 -10.0 69.1 89 91 A L T 3<5S- 0 0 8 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.443 104.5-130.4 -99.6 -2.9 26.4 -8.0 66.9 90 92 A Q T < 5 - 0 0 154 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.888 39.3-161.8 51.5 40.6 26.3 -10.7 64.1 91 93 A A < - 0 0 6 -5,-2.6 -88,-0.2 -6,-0.2 30,-0.2 -0.231 25.8-142.6 -58.1 136.3 27.2 -7.8 61.8 92 94 A E S S- 0 0 73 -90,-2.6 29,-1.2 1,-0.3 2,-0.3 0.883 79.4 -29.0 -64.6 -38.0 26.5 -8.2 58.1 93 95 A A E -bd 3 121A 3 -91,-0.8 -89,-2.3 27,-0.2 2,-0.4 -0.985 52.8-123.0-169.7 167.4 29.7 -6.2 57.5 94 96 A V E -bd 4 122A 0 27,-2.3 29,-2.3 -2,-0.3 2,-0.3 -0.996 29.1-164.9-124.6 128.4 32.0 -3.5 58.8 95 97 A Y E +bd 5 123A 22 -91,-3.1 -89,-3.1 -2,-0.4 2,-0.3 -0.828 16.3 153.1-113.1 153.9 32.7 -0.5 56.5 96 98 A W E -bd 6 124A 0 27,-1.9 29,-2.0 -2,-0.3 2,-0.4 -0.963 41.3-102.3-168.2 162.8 35.4 2.1 56.7 97 99 A N E - d 0 125A 10 -91,-0.5 29,-0.2 -2,-0.3 -88,-0.1 -0.813 45.9-103.5 -98.2 137.4 37.3 4.5 54.5 98 100 A Q - 0 0 30 27,-2.7 30,-0.4 -2,-0.4 29,-0.3 -0.111 27.5-139.7 -60.6 152.8 40.9 3.7 53.5 99 101 A D - 0 0 11 2,-0.1 -1,-0.1 1,-0.1 27,-0.0 -0.668 9.0-156.0-107.8 161.4 44.0 5.3 55.1 100 102 A I + 0 0 2 -2,-0.2 -1,-0.1 33,-0.0 -2,-0.0 0.465 67.2 94.5-113.4 -9.8 47.2 6.3 53.3 101 103 A E S > S- 0 0 18 1,-0.1 4,-2.6 198,-0.0 5,-0.3 -0.590 79.6-121.9 -88.8 147.6 49.5 6.1 56.4 102 104 A P H > S+ 0 0 42 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.898 108.9 48.0 -50.3 -51.5 51.6 3.1 57.3 103 105 A Y H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.961 114.5 44.4 -57.0 -56.9 50.1 2.5 60.8 104 106 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.875 114.1 49.1 -57.6 -42.3 46.5 2.8 59.6 105 107 A R H X S+ 0 0 79 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.909 112.9 47.0 -67.2 -39.2 47.0 0.6 56.6 106 108 A D H X S+ 0 0 116 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.937 114.2 48.5 -65.4 -44.8 48.7 -2.1 58.6 107 109 A R H X S+ 0 0 23 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.935 110.6 50.8 -58.0 -50.1 46.0 -1.9 61.2 108 110 A D H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.873 106.0 54.7 -58.8 -39.7 43.3 -2.2 58.6 109 111 A G H X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.906 111.4 46.2 -61.1 -39.9 44.8 -5.2 57.0 110 112 A Q H X S+ 0 0 98 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.909 113.0 47.6 -68.3 -44.6 44.8 -6.9 60.4 111 113 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 112.5 49.8 -63.3 -44.8 41.2 -5.9 61.2 112 114 A A H X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.900 111.5 49.1 -60.5 -41.3 40.0 -7.0 57.8 113 115 A A H X S+ 0 0 47 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.903 111.2 49.0 -65.5 -42.4 41.8 -10.4 58.2 114 116 A A H X S+ 0 0 32 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.903 111.5 49.7 -64.3 -41.8 40.3 -10.9 61.7 115 117 A L H <>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 3,-0.3 0.916 108.7 52.6 -63.7 -41.9 36.8 -10.1 60.3 116 118 A K H ><5S+ 0 0 166 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.921 105.9 53.2 -59.3 -44.9 37.2 -12.5 57.4 117 119 A T H 3<5S+ 0 0 127 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.828 109.4 50.7 -58.9 -30.6 38.2 -15.3 59.9 118 120 A A T 3<5S- 0 0 35 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.391 119.4-113.6 -88.1 2.6 34.9 -14.4 61.7 119 121 A G T < 5S+ 0 0 69 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.783 73.5 134.0 71.0 27.2 33.0 -14.7 58.4 120 122 A I < - 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0 0 61 -3,-1.1 3,-1.4 -4,-0.3 5,-0.4 -0.825 55.9-163.7-105.1 113.2 50.7 37.1 53.7 233 235 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 181,-0.1 0.785 91.7 62.1 -56.2 -33.1 50.6 35.8 57.3 234 236 A A T 3 S+ 0 0 10 179,-0.5 2,-0.2 2,-0.1 180,-0.1 0.774 97.9 71.0 -66.5 -25.9 49.3 39.1 58.7 235 237 A E S < S- 0 0 96 -3,-1.4 2,-1.1 -6,-0.2 3,-0.3 -0.629 82.0-132.8 -93.0 150.8 46.2 38.6 56.5 236 238 A A + 0 0 96 -2,-0.2 -6,-0.1 1,-0.2 -2,-0.1 -0.498 59.6 137.4 -96.1 61.4 43.5 36.0 57.1 237 239 A G + 0 0 7 -2,-1.1 -1,-0.2 -5,-0.4 -7,-0.2 0.539 45.5 72.9 -88.0 -8.1 43.6 35.0 53.4 238 240 A T S S- 0 0 37 -3,-0.3 -16,-0.1 -9,-0.1 -15,-0.0 -0.493 85.1-111.9-101.5 174.7 43.4 31.2 53.8 239 241 A S - 0 0 15 -2,-0.2 -21,-0.1 1,-0.1 -1,-0.1 0.791 26.1-144.5 -77.9 -30.9 40.5 28.9 54.7 240 242 A G + 0 0 10 1,-0.1 4,-0.2 -36,-0.0 -1,-0.1 0.674 63.3 124.3 72.3 15.5 41.6 27.6 58.0 241 243 A L >> + 0 0 1 1,-0.2 4,-2.0 2,-0.1 3,-0.8 0.484 29.8 108.1 -86.6 -3.3 40.0 24.3 57.1 242 244 A S H 3> S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.839 80.5 44.0 -45.3 -48.0 43.1 22.2 57.6 243 245 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.860 112.2 54.8 -69.7 -28.4 42.0 20.4 60.7 244 246 A A H <4>S+ 0 0 0 -3,-0.8 5,-2.3 -4,-0.2 6,-1.4 0.821 112.1 43.6 -69.4 -32.3 38.5 19.9 59.2 245 247 A L H <5S+ 0 0 24 -4,-2.0 3,-0.2 3,-0.2 -1,-0.2 0.864 112.4 52.3 -79.9 -36.8 40.1 18.2 56.2 246 248 A K H <5S+ 0 0 17 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.1 0.896 122.0 31.0 -65.6 -40.0 42.5 16.2 58.4 247 249 A F T <5S- 0 0 12 -4,-2.3 -236,-2.6 -5,-0.2 -1,-0.2 0.350 110.2-118.6 -99.8 4.5 39.7 14.8 60.5 248 250 A G T 5 + 0 0 4 -238,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.862 64.0 144.7 63.7 37.2 37.1 14.8 57.8 249 251 A A S - 0 0 0 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.643 15.9-132.9 -83.9 143.1 34.1 16.0 52.8 252 254 A I H > S+ 0 0 4 -125,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.832 109.1 53.7 -65.2 -29.9 36.7 16.6 50.1 253 255 A R H > S+ 0 0 4 -238,-0.3 4,-2.4 -126,-0.2 -1,-0.2 0.840 106.9 52.2 -72.0 -31.4 34.0 16.5 47.4 254 256 A Q H > S+ 0 0 28 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.920 110.2 48.9 -67.1 -43.6 32.1 19.2 49.3 255 257 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.924 113.5 45.7 -61.7 -45.8 35.2 21.3 49.3 256 258 A W H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.911 112.7 50.9 -64.9 -42.5 35.8 20.9 45.6 257 259 A Q H X S+ 0 0 103 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.903 108.4 51.0 -62.2 -44.3 32.1 21.5 44.8 258 260 A A H X S+ 0 0 22 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.901 114.2 43.9 -61.5 -42.2 32.0 24.8 46.8 259 261 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.904 113.2 51.8 -69.5 -40.7 35.1 26.1 45.1 260 262 A S H X S+ 0 0 51 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.895 110.6 48.4 -62.0 -41.0 33.8 24.9 41.7 261 263 A A H X S+ 0 0 59 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.876 110.1 51.8 -66.9 -39.1 30.5 26.7 42.2 262 264 A A H X S+ 0 0 13 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.874 108.9 51.2 -65.6 -36.9 32.3 29.9 43.3 263 265 A H H < S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 111.0 47.1 -66.7 -41.5 34.4 29.8 40.1 264 266 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 112.5 51.0 -69.6 -29.3 31.3 29.4 37.9 265 267 A L H < S+ 0 0 140 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.859 95.2 87.3 -75.6 -37.1 29.6 32.2 39.8 266 268 A S < - 0 0 9 -4,-2.1 3,-0.0 -5,-0.1 -3,-0.0 -0.315 48.0-177.1 -67.6 145.1 32.5 34.6 39.4 267 269 A R + 0 0 192 -2,-0.0 2,-0.5 5,-0.0 -1,-0.1 0.171 57.2 100.2-123.3 10.1 32.8 36.8 36.3 268 270 A S > - 0 0 41 1,-0.1 4,-3.1 2,-0.0 5,-0.2 -0.881 63.8-149.2-104.1 126.3 36.2 38.3 37.3 269 271 A D H > S+ 0 0 140 -2,-0.5 4,-2.3 1,-0.2 5,-0.1 0.889 101.9 49.5 -58.1 -40.9 39.4 36.9 35.8 270 272 A E H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 113.0 46.0 -65.6 -42.0 41.3 37.7 39.0 271 273 A A H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 111.7 51.6 -66.7 -44.9 38.7 36.0 41.2 272 274 A R H X S+ 0 0 91 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.908 110.3 49.7 -58.2 -43.2 38.6 33.0 38.9 273 275 A N H X S+ 0 0 76 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.920 108.6 52.3 -62.0 -44.8 42.4 32.7 39.1 274 276 A S H X S+ 0 0 1 -4,-2.1 4,-1.8 -50,-0.3 -2,-0.2 0.901 110.6 48.1 -58.5 -42.7 42.3 32.9 42.9 275 277 A I H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.885 109.9 51.7 -66.5 -39.4 39.8 30.1 43.0 276 278 A R H X S+ 0 0 95 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.879 108.4 52.8 -64.1 -38.2 41.8 28.0 40.6 277 279 A V H X S+ 0 0 22 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.898 108.9 48.6 -65.6 -39.5 44.9 28.5 42.9 278 280 A W H >X S+ 0 0 10 -4,-1.8 4,-1.1 1,-0.2 3,-0.8 0.927 109.4 53.2 -66.1 -42.3 43.0 27.3 45.9 279 281 A Q H >X S+ 0 0 6 -4,-2.3 4,-0.9 1,-0.3 3,-0.5 0.878 104.6 55.7 -59.6 -36.9 41.8 24.3 44.0 280 282 A Q H 3X S+ 0 0 52 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.775 97.0 63.3 -68.7 -23.3 45.3 23.5 43.2 281 283 A E H < + 0 0 41 -4,-3.2 3,-2.1 -5,-0.2 -1,-0.3 -0.635 66.0 169.8-127.7 72.4 56.4 5.5 48.9 296 298 A P G > + 0 0 67 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.730 69.4 75.6 -56.8 -23.5 55.8 4.7 52.6 297 299 A S G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.667 73.9 82.9 -64.8 -13.3 59.5 4.9 53.4 298 300 A L G X S+ 0 0 7 -3,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.867 82.3 62.4 -56.4 -34.1 59.1 8.7 53.1 299 301 A A G < S+ 0 0 28 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.723 89.3 69.4 -65.3 -21.0 57.9 8.6 56.7 300 302 A D G < S- 0 0 116 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.717 112.8 -98.7 -71.6 -21.2 61.2 7.3 57.9 301 303 A G S < S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-0.5 7,-0.1 -0.922 85.6 24.5 136.0-162.0 63.0 10.6 57.2 302 304 A P - 0 0 11 0, 0.0 93,-0.1 0, 0.0 -3,-0.0 -0.085 62.4-166.6 -40.1 120.8 65.2 12.1 54.4 303 305 A Y + 0 0 66 91,-0.8 92,-0.2 4,-0.1 5,-0.1 0.932 56.4 78.1 -82.5 -54.4 64.3 10.1 51.3 304 306 A R S > S- 0 0 119 90,-3.1 4,-1.0 1,-0.1 3,-0.3 -0.322 85.9-117.0 -62.9 142.7 66.8 10.8 48.6 305 307 A S T >4 S+ 0 0 83 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.851 110.9 53.6 -48.0 -47.5 70.1 8.9 49.0 306 308 A L G >4 S+ 0 0 25 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.936 108.9 49.6 -55.6 -48.9 72.3 11.9 49.5 307 309 A W G >4 S+ 0 0 10 -3,-0.3 3,-0.7 1,-0.3 -1,-0.2 0.653 96.2 68.6 -67.6 -17.1 70.2 13.3 52.3 308 310 A Q G << S+ 0 0 132 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.635 108.3 41.2 -74.7 -12.1 70.2 10.0 54.2 309 311 A Q G < S+ 0 0 111 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.290 81.3 137.6-115.7 5.6 73.9 10.7 54.7 310 312 A F < - 0 0 10 -3,-0.7 2,-2.2 1,-0.1 156,-0.1 -0.323 58.8-124.8 -59.9 131.8 73.7 14.5 55.5 311 313 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.420 31.8-165.4 -77.5 68.2 76.0 15.4 58.4 312 314 A W - 0 0 33 -2,-2.2 51,-0.2 1,-0.1 50,-0.1 -0.275 13.8-149.3 -54.2 136.4 73.4 17.1 60.6 313 315 A E - 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0 0 20 -2,-0.4 3,-2.2 1,-0.2 4,-0.5 -0.268 40.4-133.1 -44.2 120.3 68.0 16.8 61.4 365 367 A W T 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.659 97.6 79.5 -61.8 -13.3 64.6 17.9 60.2 366 368 A R H 3> S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.783 88.1 59.9 -63.0 -23.0 62.9 14.9 61.8 367 369 A R H <> S+ 0 0 71 -3,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 108.8 41.8 -69.8 -39.7 63.2 16.9 65.0 368 370 A G H > S+ 0 0 0 -4,-0.5 4,-2.5 -3,-0.4 -2,-0.2 0.879 111.4 55.1 -73.8 -39.1 61.1 19.7 63.5 369 371 A E H X S+ 0 0 21 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.935 111.5 46.0 -58.0 -45.6 58.7 17.3 61.9 370 372 A Q H X S+ 0 0 69 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 109.9 51.9 -64.7 -45.3 58.1 15.7 65.3 371 373 A F H < S+ 0 0 20 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.908 110.0 50.4 -59.7 -40.5 57.7 19.1 67.1 372 374 A F H >X S+ 0 0 6 -4,-2.5 4,-3.0 1,-0.2 3,-1.3 0.914 109.6 50.6 -62.7 -41.8 55.1 20.1 64.5 373 375 A M H 3< S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.6 55.5 -66.6 -28.5 53.2 16.9 65.0 374 376 A Q T 3< S+ 0 0 51 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.507 123.7 23.4 -81.9 -2.2 53.2 17.4 68.8 375 377 A H T <4 S+ 0 0 51 -3,-1.3 2,-0.4 -4,-0.4 -2,-0.2 0.607 90.8 103.5-135.6 -22.2 51.6 20.8 68.4 376 378 A L >< - 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0 0 49 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.257 9.2-164.6 -62.9 146.7 63.2 18.0 44.6 399 401 A K - 0 0 125 -9,-0.1 3,-0.1 1,-0.1 0, 0.0 -0.830 33.8 -77.1-125.5 163.5 64.5 21.5 43.7 400 402 A P - 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.259 69.4 -75.1 -60.5 149.9 68.1 22.9 43.5 401 403 A L + 0 0 60 -8,-0.0 2,-0.3 -3,-0.0 -9,-0.0 -0.174 65.5 166.3 -48.3 128.3 69.7 23.7 46.8 402 404 A R - 0 0 150 -3,-0.1 2,-0.4 2,-0.0 -3,-0.1 -0.995 24.5-157.5-148.2 145.8 68.3 26.9 48.2 403 405 A I - 0 0 17 -2,-0.3 -47,-0.0 -44,-0.0 -11,-0.0 -0.960 19.6-132.8-131.4 115.2 68.4 28.6 51.6 404 406 A F - 0 0 15 -2,-0.4 3,-0.1 1,-0.1 -45,-0.0 -0.319 11.9-139.4 -62.0 142.6 65.8 31.1 52.6 405 407 A N >> - 0 0 61 1,-0.2 4,-2.5 54,-0.0 3,-0.7 -0.935 10.5-146.9-104.3 110.5 67.1 34.4 54.1 406 408 A P H 3> S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.848 98.6 50.3 -43.9 -43.3 64.7 35.1 57.1 407 409 A A H 3> S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 110.2 49.3 -65.5 -40.0 65.0 38.8 56.5 408 410 A S H <> S+ 0 0 62 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.910 112.9 47.8 -65.1 -42.8 64.3 38.5 52.8 409 411 A Q H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.902 112.2 48.8 -64.5 -43.5 61.2 36.4 53.6 410 412 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 7,-0.3 0.901 110.8 49.8 -64.8 -42.7 60.0 38.8 56.2 411 413 A K H < S+ 0 0 143 -4,-2.3 -1,-0.2 25,-0.2 -2,-0.2 0.887 116.6 42.7 -63.7 -37.8 60.4 41.8 54.0 412 414 A K H < S+ 0 0 113 -4,-1.8 3,-0.2 -5,-0.2 -2,-0.2 0.870 128.0 25.2 -77.6 -39.1 58.5 40.1 51.2 413 415 A F H < S+ 0 0 22 -4,-2.6 -179,-0.5 1,-0.2 -2,-0.2 0.465 135.2 28.4-109.1 -2.8 55.7 38.5 53.1 414 416 A D S >< S+ 0 0 7 -4,-2.1 3,-2.5 -5,-0.2 -1,-0.2 -0.312 70.4 164.3-151.2 52.7 55.3 40.7 56.2 415 417 A A T 3 S+ 0 0 65 1,-0.3 21,-0.1 -3,-0.2 -4,-0.1 0.688 79.5 37.0 -47.5 -31.4 56.6 44.1 54.8 416 418 A T T 3 S- 0 0 91 -6,-0.1 -1,-0.3 -3,-0.0 17,-0.1 0.252 107.9-120.0-109.2 12.0 55.2 46.2 57.7 417 419 A A <> + 0 0 0 -3,-2.5 4,-2.5 -7,-0.3 5,-0.2 0.760 67.1 141.6 56.2 28.7 55.9 43.6 60.3 418 420 A T H > S+ 0 0 65 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.926 72.9 43.6 -64.8 -45.2 52.2 43.4 61.2 419 421 A Y H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.926 113.3 52.1 -65.8 -45.2 52.3 39.7 61.7 420 422 A I H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.940 112.0 44.4 -57.1 -50.3 55.6 39.9 63.7 421 423 A K H < S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 107.4 62.2 -66.5 -26.4 54.2 42.5 66.1 422 424 A R H < S+ 0 0 128 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.916 116.8 27.6 -65.0 -43.2 51.0 40.6 66.4 423 425 A W H < S+ 0 0 43 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.562 125.8 47.6 -97.0 -9.8 52.7 37.6 67.9 424 426 A L >< + 0 0 0 -4,-1.7 3,-2.2 -5,-0.2 -1,-0.2 -0.539 63.2 162.2-127.6 63.4 55.7 39.4 69.5 425 427 A P G > + 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.737 68.7 71.6 -55.5 -25.4 53.9 42.3 71.3 426 428 A E G 3 S+ 0 0 76 1,-0.3 22,-0.2 2,-0.1 21,-0.1 0.509 101.4 47.4 -70.7 -1.2 56.9 42.9 73.5 427 429 A L G X S+ 0 0 1 -3,-2.2 3,-1.5 -6,-0.2 -1,-0.3 0.118 74.0 110.2-123.1 17.1 58.5 44.2 70.3 428 430 A R T < S+ 0 0 178 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.723 74.5 61.4 -66.5 -20.1 55.7 46.5 69.1 429 431 A H T 3 S+ 0 0 68 -4,-0.2 -1,-0.3 15,-0.1 2,-0.2 0.583 86.6 95.7 -81.7 -12.0 57.9 49.5 69.9 430 432 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 14,-0.1 -9,-0.0 -0.575 84.3-107.6 -83.9 143.4 60.5 48.4 67.4 431 433 A H >> - 0 0 119 -2,-0.2 4,-1.7 1,-0.1 3,-1.1 -0.437 24.2-123.7 -68.1 138.4 60.5 49.8 63.8 432 434 A P H 3> S+ 0 0 44 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.857 109.5 66.7 -49.6 -37.4 59.4 47.3 61.2 433 435 A K H 3> S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 6,-0.2 0.894 106.6 38.3 -51.0 -46.7 62.7 47.9 59.4 434 436 A D H <>>S+ 0 0 43 -3,-1.1 4,-1.6 2,-0.2 5,-0.5 0.790 112.5 55.4 -79.0 -29.4 64.6 46.3 62.3 435 437 A L H <5S+ 0 0 1 -4,-1.7 -104,-0.4 2,-0.2 -2,-0.2 0.879 113.2 44.1 -69.2 -36.1 62.1 43.6 63.0 436 438 A I H <5S+ 0 0 21 -4,-2.7 -26,-0.2 -5,-0.2 -25,-0.2 0.923 116.8 43.2 -73.4 -45.9 62.5 42.5 59.3 437 439 A S H <5S- 0 0 30 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.759 103.1-134.2 -71.2 -23.8 66.3 42.8 59.2 438 440 A G T <5 + 0 0 14 -4,-1.6 2,-1.0 1,-0.2 -3,-0.2 0.540 66.7 126.9 81.2 5.6 66.4 41.1 62.5 439 441 A E < + 0 0 144 -5,-0.5 2,-0.4 -6,-0.2 -1,-0.2 -0.805 32.9 167.6-100.3 94.2 68.9 43.7 63.7 440 442 A I - 0 0 20 -2,-1.0 5,-0.1 -3,-0.1 -10,-0.0 -0.901 36.2-116.7-111.6 135.9 67.5 45.1 66.9 441 443 A T > - 0 0 63 -2,-0.4 4,-1.2 1,-0.1 3,-0.4 -0.412 25.1-120.0 -69.1 142.7 69.4 47.2 69.4 442 444 A P H > S+ 0 0 86 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.849 112.5 53.2 -49.6 -41.0 69.9 45.7 72.9 443 445 A I H 4 S+ 0 0 127 1,-0.2 3,-0.4 2,-0.2 -2,-0.0 0.901 115.2 38.8 -65.1 -41.8 68.0 48.6 74.6 444 446 A E H 4 S+ 0 0 55 -3,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.546 108.0 68.0 -84.1 -7.5 65.0 48.2 72.3 445 447 A R H >< S+ 0 0 67 -4,-1.2 3,-2.3 1,-0.2 -1,-0.2 0.732 72.8 169.5 -82.5 -24.3 65.4 44.4 72.6 446 448 A R T 3< S- 0 0 151 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 -0.227 73.9 -14.5 49.3-124.0 64.5 44.3 76.3 447 449 A G T 3 S+ 0 0 72 -21,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.625 108.6 113.9 -83.0 -13.5 64.1 40.7 77.3 448 450 A Y S < S- 0 0 10 -3,-2.3 -122,-0.1 -22,-0.2 -3,-0.0 -0.378 71.8-116.3 -60.7 128.5 64.0 39.5 73.6 449 451 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.147 21.1-109.8 -66.8 160.4 67.0 37.4 72.8 450 452 A A - 0 0 43 1,-0.2 -121,-0.1 -124,-0.1 -11,-0.1 -0.420 58.0 -69.3 -81.0 164.0 69.8 38.2 70.4 451 453 A P - 0 0 64 0, 0.0 -123,-0.3 0, 0.0 -1,-0.2 -0.352 40.9-144.8 -57.1 128.0 70.0 36.1 67.2 452 454 A I S S+ 0 0 49 -125,-3.0 2,-0.3 -3,-0.1 -124,-0.1 0.695 80.7 20.6 -70.0 -18.1 71.1 32.6 68.2 453 455 A V S S- 0 0 13 -126,-0.4 2,-0.7 -135,-0.0 3,-0.1 -0.959 78.8-114.3-145.6 161.7 73.1 32.2 65.0 454 456 A N > - 0 0 90 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 -0.893 26.4-149.6 -99.1 109.2 74.6 34.4 62.3 455 457 A H H > S+ 0 0 20 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.863 93.0 52.9 -47.6 -47.7 72.7 33.6 59.1 456 458 A N H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 112.3 45.0 -58.1 -46.0 75.6 34.3 56.7 457 459 A L H > S+ 0 0 107 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.870 114.0 48.9 -66.6 -37.6 77.9 31.9 58.6 458 460 A R H X S+ 0 0 18 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.914 109.8 51.9 -68.5 -42.2 75.2 29.2 58.9 459 461 A Q H X S+ 0 0 37 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.903 111.4 46.6 -60.7 -42.7 74.4 29.4 55.2 460 462 A K H X S+ 0 0 125 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.897 112.7 51.3 -66.6 -38.6 78.1 29.0 54.3 461 463 A Q H X S+ 0 0 55 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.922 110.8 46.6 -64.2 -46.4 78.3 26.1 56.7 462 464 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 -103,-0.2 -2,-0.2 0.938 113.7 47.9 -63.3 -46.9 75.3 24.3 55.3 463 465 A K H X S+ 0 0 83 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.881 111.0 52.5 -60.8 -39.3 76.5 24.8 51.7 464 466 A A H X S+ 0 0 40 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.928 110.9 46.0 -63.1 -45.9 79.9 23.6 52.6 465 467 A L H X S+ 0 0 38 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.919 115.7 47.4 -62.4 -43.4 78.6 20.4 54.2 466 468 A Y H X S+ 0 0 37 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.960 114.2 44.4 -62.6 -54.1 76.3 19.8 51.2 467 469 A N H X S+ 0 0 91 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.866 113.0 52.0 -60.5 -38.2 79.0 20.4 48.6 468 470 A Q H X S+ 0 0 130 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.888 113.8 43.5 -66.3 -39.1 81.5 18.3 50.5 469 471 A L H X S+ 0 0 24 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 111.0 53.5 -71.5 -45.1 79.1 15.4 50.7 470 472 A K H < S+ 0 0 123 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 112.5 46.6 -57.8 -35.3 77.9 15.7 47.1 471 473 A A H < S+ 0 0 81 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.892 107.9 54.2 -74.2 -42.2 81.6 15.6 46.1 472 474 A A H < 0 0 87 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.870 360.0 360.0 -60.1 -37.6 82.4 12.6 48.3 473 475 A I < 0 0 109 -4,-2.2 -167,-0.0 -5,-0.1 0, 0.0 -0.345 360.0 360.0 -81.4 360.0 79.6 10.7 46.7