==== 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 1OWN . 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) . 20616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 66.4 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 . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 40.8 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 4 1 2 2 3 0 2 1 0 3 1 0 1 1 0 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 2 A A 0 0 78 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.7 19.5 -8.9 63.2 2 3 A A + 0 0 46 90,-0.1 27,-0.2 91,-0.0 2,-0.2 -0.660 360.0 165.4-134.6 78.5 21.8 -7.9 60.4 3 4 A P - 0 0 0 0, 0.0 90,-1.9 0, 0.0 91,-0.9 -0.518 32.3-125.7 -92.1 161.5 23.1 -4.3 60.7 4 5 A I E -ab 30 94A 0 25,-2.2 27,-2.5 88,-0.2 2,-0.4 -0.911 18.2-148.5-107.5 132.4 25.9 -2.6 58.9 5 6 A L E -ab 31 95A 0 89,-2.5 91,-2.9 -2,-0.5 2,-0.6 -0.836 4.7-156.6 -99.4 134.8 28.6 -0.9 60.9 6 7 A F E -ab 32 96A 0 25,-2.5 27,-1.3 -2,-0.4 2,-0.8 -0.958 10.2-146.8-113.0 119.6 30.3 2.2 59.5 7 8 A W E -ab 33 97A 4 89,-3.3 91,-0.5 -2,-0.6 2,-0.3 -0.742 12.0-158.6 -91.8 108.6 33.8 2.9 60.9 8 9 A H E +a 34 0A 0 25,-2.7 27,-0.5 -2,-0.8 4,-0.1 -0.637 32.1 139.5 -84.7 140.6 34.7 6.6 61.1 9 10 A R S S+ 0 0 23 -2,-0.3 3,-0.2 25,-0.1 -1,-0.1 0.359 83.7 0.7-139.5 -71.8 38.3 7.7 61.3 10 11 A R S S+ 0 0 61 1,-0.2 -2,-0.1 88,-0.2 240,-0.0 -0.047 118.2 76.2-115.9 28.9 39.1 10.8 59.2 11 12 A D + 0 0 4 239,-0.1 2,-2.2 87,-0.0 238,-0.3 -0.428 55.0 169.2-136.2 58.6 35.6 11.4 57.9 12 13 A L + 0 0 1 236,-2.8 2,-0.3 -3,-0.2 197,-0.1 -0.448 46.8 79.5 -78.6 74.6 33.8 12.8 60.9 13 14 A R - 0 0 4 -2,-2.2 238,-0.1 1,-0.1 237,-0.1 -0.967 68.2-136.7-166.2 162.3 30.5 13.9 59.2 14 15 A L S S+ 0 0 3 -2,-0.3 3,-0.4 236,-0.1 2,-0.1 0.712 81.1 77.9 -99.8 -25.3 27.3 12.5 57.9 15 16 A S S S+ 0 0 9 1,-0.2 150,-0.1 151,-0.2 151,-0.1 -0.389 98.1 4.8 -86.3 162.7 27.1 14.3 54.6 16 17 A D S S+ 0 0 1 148,-0.9 2,-0.5 1,-0.2 238,-0.3 0.822 82.7 149.7 29.9 60.8 29.0 13.6 51.3 17 18 A N > - 0 0 1 -3,-0.4 4,-3.2 148,-0.4 5,-0.3 -0.930 36.4-158.7-123.8 104.4 30.6 10.5 52.7 18 19 A I H > S+ 0 0 34 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.915 91.2 40.0 -45.0 -62.6 31.3 7.8 50.0 19 20 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 116.9 49.0 -58.4 -45.3 31.5 4.8 52.3 20 21 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 112.4 48.8 -61.5 -45.9 28.6 5.8 54.5 21 22 A A H X S+ 0 0 22 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.900 110.6 50.5 -61.6 -42.8 26.4 6.5 51.5 22 23 A A H < S+ 0 0 33 -4,-2.5 4,-0.4 -5,-0.3 3,-0.3 0.904 111.0 49.7 -62.4 -40.3 27.3 3.1 50.0 23 24 A A H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-1.5 0.903 106.4 55.2 -65.2 -41.3 26.4 1.4 53.3 24 25 A R H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 100.3 59.4 -63.6 -28.3 23.1 3.2 53.5 25 26 A A T 3< S+ 0 0 81 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.640 110.6 44.3 -74.3 -13.4 22.1 1.9 50.1 26 27 A Q T <4 S+ 0 0 115 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.700 128.2 1.1-101.2 -25.0 22.6 -1.5 51.5 27 28 A S < - 0 0 20 -4,-1.5 -1,-0.3 1,-0.1 3,-0.0 -0.951 40.6-150.8-165.7 143.9 20.8 -1.1 54.9 28 29 A A S S+ 0 0 27 -2,-0.3 143,-2.9 1,-0.2 2,-2.2 0.615 90.3 84.1 -86.9 -16.8 18.9 1.5 57.0 29 30 A Q + 0 0 33 141,-0.2 -25,-2.2 -27,-0.2 2,-0.6 -0.459 66.1 157.5 -84.3 62.9 20.1 -0.2 60.1 30 31 A L E -a 4 0A 0 -2,-2.2 2,-0.5 -27,-0.2 41,-0.3 -0.842 20.5-174.3 -97.8 115.1 23.3 1.8 59.7 31 32 A I E -a 5 0A 0 -27,-2.5 -25,-2.5 -2,-0.6 41,-0.2 -0.943 11.7-146.9-115.3 123.7 25.3 2.3 63.0 32 33 A G E -ac 6 72A 0 39,-1.7 41,-2.7 -2,-0.5 2,-0.3 -0.345 17.7-176.7 -82.2 166.0 28.3 4.5 63.1 33 34 A L E -ac 7 73A 0 -27,-1.3 -25,-2.7 39,-0.3 2,-0.4 -0.985 16.2-164.8-159.8 154.6 31.3 3.9 65.3 34 35 A F E -ac 8 74A 18 39,-2.2 41,-2.2 -2,-0.3 2,-0.6 -0.986 12.0-152.5-143.6 133.3 34.6 5.5 66.3 35 36 A C E - c 0 75A 10 -27,-0.5 2,-1.2 -2,-0.4 41,-0.2 -0.936 11.6-142.1-114.4 119.1 37.5 3.7 68.0 36 37 A L E - c 0 76A 9 39,-3.9 41,-1.6 -2,-0.6 3,-0.0 -0.667 25.7-155.7 -76.4 101.6 39.9 5.6 70.2 37 38 A D >> - 0 0 11 -2,-1.2 4,-2.7 39,-0.2 3,-1.7 -0.738 10.6-151.7 -88.1 115.0 43.1 3.8 69.3 38 39 A P H 3> S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.798 93.6 63.5 -53.5 -35.5 45.8 4.0 72.0 39 40 A Q H 34 S+ 0 0 123 1,-0.2 39,-0.0 2,-0.2 -2,-0.0 0.800 115.3 33.0 -62.9 -25.2 48.7 3.6 69.5 40 41 A I H X4 S+ 0 0 46 -3,-1.7 3,-0.8 2,-0.1 -1,-0.2 0.876 121.4 45.6 -94.4 -49.3 47.5 7.0 68.0 41 42 A L H 3< S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.2 5,-0.1 0.849 115.4 45.7 -64.6 -37.2 46.2 8.8 71.1 42 43 A Q T 3< S+ 0 0 163 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.1 0.465 86.8 124.1 -86.3 -0.9 49.1 7.9 73.3 43 44 A S X - 0 0 50 -3,-0.8 3,-1.9 -5,-0.2 -3,-0.1 -0.315 66.9-134.8 -64.2 139.2 51.7 8.8 70.6 44 45 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.0 -4,-0.0 0.667 107.0 62.0 -65.5 -13.9 54.3 11.4 71.5 45 46 A D T 3 S+ 0 0 58 -5,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.289 76.8 112.3 -95.5 9.7 53.4 12.9 68.0 46 47 A M < - 0 0 23 -3,-1.9 329,-0.1 -5,-0.1 3,-0.0 -0.703 62.3-138.5 -85.1 130.8 49.8 13.6 68.9 47 48 A A > - 0 0 0 -2,-0.4 4,-2.1 327,-0.3 3,-0.4 -0.743 5.9-140.6 -92.3 132.9 48.9 17.3 69.1 48 49 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.891 105.2 53.7 -55.3 -40.3 46.6 18.6 71.9 49 50 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 106.8 51.9 -63.5 -35.7 44.9 21.0 69.5 50 51 A R H > S+ 0 0 12 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.897 108.8 49.4 -69.9 -39.3 44.2 18.1 67.1 51 52 A V H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.906 111.7 50.1 -65.8 -38.7 42.6 16.0 69.9 52 53 A A H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.937 112.8 45.3 -64.1 -47.0 40.5 19.0 70.9 53 54 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 155,-0.2 0.927 114.5 49.6 -62.0 -45.6 39.3 19.5 67.3 54 55 A L H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.942 109.7 49.8 -57.2 -51.6 38.7 15.8 66.9 55 56 A Q H X S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.874 109.7 52.7 -58.4 -37.8 36.7 15.6 70.1 56 57 A G H X S+ 0 0 13 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.3 0.897 109.2 49.1 -65.7 -38.2 34.6 18.5 69.0 57 58 A C H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 152,-0.3 0.898 109.5 51.5 -67.1 -40.1 33.9 16.8 65.7 58 59 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.890 103.9 58.8 -64.3 -39.8 32.9 13.6 67.4 59 60 A Q H X S+ 0 0 101 -4,-2.1 4,-1.3 1,-0.2 3,-0.2 0.945 110.4 41.4 -55.6 -49.8 30.4 15.5 69.7 60 61 A E H >X S+ 0 0 33 -4,-1.6 4,-2.4 1,-0.2 3,-0.6 0.950 110.4 57.7 -64.3 -45.7 28.6 16.8 66.6 61 62 A L H 3X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.823 101.5 56.6 -53.9 -34.1 28.7 13.4 64.9 62 63 A Q H 3X S+ 0 0 63 -4,-2.2 4,-2.0 -3,-0.2 -1,-0.3 0.919 109.6 45.8 -63.0 -43.1 27.0 11.8 67.9 63 64 A Q H S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 4,-1.4 0.914 112.9 51.1 -63.8 -42.9 23.6 9.9 64.1 66 67 A Q H <5S+ 0 0 133 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.917 112.8 45.6 -60.6 -44.0 21.0 10.4 66.8 67 68 A Q H <5S+ 0 0 133 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.807 109.1 57.0 -70.1 -28.5 19.0 12.8 64.6 68 69 A A H <5S- 0 0 15 -4,-1.9 102,-2.7 -5,-0.3 -1,-0.2 0.754 126.2 -95.6 -74.7 -24.8 19.3 10.4 61.7 69 70 A G T <5S+ 0 0 30 -4,-1.4 103,-0.5 -3,-0.4 -3,-0.2 0.343 96.3 46.5 128.6 -9.3 17.7 7.6 63.6 70 71 A S S > - 0 0 50 -2,-0.3 4,-2.8 -41,-0.1 3,-1.1 -0.580 52.4-146.0 -73.8 121.2 43.1 -2.0 69.6 79 80 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.869 92.6 55.3 -54.9 -47.3 41.1 -1.9 66.4 80 81 A Q H 34 S+ 0 0 64 1,-0.2 -2,-0.1 2,-0.2 29,-0.0 0.659 118.5 36.7 -67.7 -11.9 41.8 -5.3 64.9 81 82 A H H <> S+ 0 0 108 -3,-1.1 4,-1.6 3,-0.1 -1,-0.2 0.841 122.7 39.0 -99.9 -53.7 40.6 -6.9 68.1 82 83 A L H X S+ 0 0 29 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.881 112.7 52.7 -66.5 -43.0 37.7 -4.6 69.1 83 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.933 112.8 43.3 -63.1 -46.6 36.1 -3.9 65.7 84 85 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.888 114.0 52.3 -66.1 -36.7 35.8 -7.6 64.7 85 86 A Q H X S+ 0 0 91 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.920 111.8 46.3 -62.7 -44.1 34.6 -8.5 68.2 86 87 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.930 112.6 49.1 -64.3 -47.7 31.9 -5.8 68.0 87 88 A A H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-0.3 0.907 113.3 48.0 -59.9 -41.6 30.9 -6.8 64.5 88 89 A Q H ><5S+ 0 0 118 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.941 109.6 50.9 -64.7 -48.8 30.6 -10.5 65.6 89 90 A Q H 3<5S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 116.7 43.0 -59.2 -24.5 28.6 -9.6 68.7 90 91 A L T 3<5S- 0 0 6 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.419 105.1-131.7-100.5 -1.4 26.3 -7.6 66.4 91 92 A Q T < 5 - 0 0 138 -3,-1.6 -3,-0.2 -4,-0.3 -4,-0.1 0.925 36.7-156.5 46.8 48.5 26.3 -10.3 63.7 92 93 A A < - 0 0 6 -5,-2.8 30,-0.2 -90,-0.2 -88,-0.2 -0.282 25.3-144.7 -60.4 133.4 27.0 -7.5 61.3 93 94 A E S S- 0 0 79 -90,-1.9 29,-0.7 1,-0.3 2,-0.3 0.795 81.5 -30.8 -66.4 -25.7 26.1 -8.0 57.7 94 95 A A E -bd 4 122A 5 -91,-0.9 -89,-2.5 27,-0.2 2,-0.4 -0.953 51.6-123.7 178.5 163.2 29.2 -5.9 57.0 95 96 A V E -bd 5 123A 0 27,-2.5 29,-2.3 -2,-0.3 2,-0.3 -0.995 29.4-167.6-124.4 125.8 31.6 -3.2 58.2 96 97 A Y E +bd 6 124A 24 -91,-2.9 -89,-3.3 -2,-0.4 2,-0.3 -0.779 15.2 151.2-112.1 157.6 32.3 -0.3 55.9 97 98 A W E -bd 7 125A 0 27,-1.7 29,-1.9 -2,-0.3 2,-0.4 -0.953 42.3 -97.2-174.6 161.9 34.9 2.5 56.0 98 99 A N E - d 0 126A 10 -91,-0.5 29,-0.2 -2,-0.3 -88,-0.2 -0.763 46.0-104.2 -95.3 137.7 37.0 4.8 53.9 99 100 A Q - 0 0 32 27,-2.2 30,-0.3 -2,-0.4 29,-0.3 -0.165 27.9-140.4 -60.5 147.3 40.5 3.9 52.8 100 101 A D - 0 0 7 2,-0.1 -1,-0.1 1,-0.1 27,-0.0 -0.613 8.3-155.5-102.2 163.0 43.6 5.5 54.3 101 102 A I + 0 0 2 -2,-0.2 -1,-0.1 33,-0.0 -2,-0.0 0.516 66.4 96.6-111.9 -15.0 46.8 6.6 52.5 102 103 A E S > S- 0 0 19 1,-0.1 4,-2.6 198,-0.0 5,-0.3 -0.502 79.3-122.5 -82.1 144.3 49.1 6.3 55.5 103 104 A P H > S+ 0 0 39 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.892 110.5 47.3 -47.7 -51.1 51.3 3.3 56.4 104 105 A Y H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.947 113.8 45.8 -60.6 -51.2 49.8 2.8 59.8 105 106 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 113.5 48.6 -61.8 -40.4 46.1 3.0 58.7 106 107 A R H X S+ 0 0 77 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.912 113.0 47.0 -68.9 -40.4 46.6 0.8 55.7 107 108 A D H X S+ 0 0 118 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.956 114.7 47.4 -64.0 -48.6 48.4 -1.9 57.7 108 109 A R H X S+ 0 0 31 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.2 51.7 -55.5 -50.9 45.7 -1.8 60.4 109 110 A D H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.889 105.6 54.2 -55.2 -43.9 43.0 -1.9 57.9 110 111 A G H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.937 110.9 47.4 -56.6 -45.0 44.4 -5.0 56.2 111 112 A Q H X S+ 0 0 100 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.867 111.8 48.5 -64.4 -40.5 44.4 -6.7 59.6 112 113 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.964 112.7 48.2 -65.5 -49.4 40.8 -5.6 60.5 113 114 A A H X S+ 0 0 19 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.925 112.8 47.7 -55.9 -48.3 39.5 -6.8 57.1 114 115 A A H X S+ 0 0 50 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.909 112.1 50.6 -61.0 -40.8 41.4 -10.2 57.4 115 116 A A H X S+ 0 0 30 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.922 112.2 47.3 -62.6 -42.0 40.0 -10.5 61.0 116 117 A L H <>S+ 0 0 0 -4,-3.0 5,-3.4 1,-0.2 -2,-0.2 0.897 108.8 53.7 -66.4 -39.9 36.5 -9.8 59.7 117 118 A K H ><5S+ 0 0 171 -4,-2.8 3,-1.0 3,-0.2 -1,-0.2 0.871 106.7 52.5 -63.0 -37.2 36.8 -12.2 56.8 118 119 A T H 3<5S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.888 108.0 50.6 -64.7 -39.0 37.8 -15.0 59.2 119 120 A A T 3<5S- 0 0 37 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.459 121.2-115.6 -77.2 -0.3 34.7 -14.2 61.2 120 121 A G T < 5S+ 0 0 65 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.731 71.4 137.1 73.2 22.3 32.9 -14.5 57.9 121 122 A I < - 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0 0 12 -102,-2.7 2,-0.5 -3,-0.1 -141,-0.2 -0.403 25.0-125.1 -80.8 158.0 18.3 5.0 60.0 171 172 A V - 0 0 75 -143,-2.9 -101,-0.1 -2,-0.1 -102,-0.1 -0.924 26.2-140.0-106.4 126.0 17.2 2.1 62.2 172 173 A D - 0 0 55 -2,-0.5 -102,-0.1 -103,-0.5 2,-0.1 -0.289 24.9 -92.1 -81.7 166.2 18.7 2.1 65.7 173 174 A L - 0 0 10 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.424 40.0-122.6 -75.2 154.8 20.0 -0.9 67.7 174 175 A S > - 0 0 47 -2,-0.1 4,-3.3 1,-0.1 5,-0.2 -0.484 25.8-103.7 -93.5 166.2 17.7 -2.8 70.1 175 176 A P H > S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.893 122.7 52.8 -56.2 -42.0 18.2 -3.4 73.8 176 177 A E H > S+ 0 0 172 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.879 112.1 45.0 -62.7 -38.7 19.2 -7.0 73.1 177 178 A Q H > S+ 0 0 23 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.949 112.6 51.1 -69.2 -46.7 21.8 -5.8 70.6 178 179 A L H X S+ 0 0 44 -4,-3.3 4,-1.4 1,-0.2 3,-0.2 0.858 108.9 52.5 -58.6 -33.6 23.0 -3.2 73.0 179 180 A T H < S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.879 103.8 57.1 -70.4 -35.7 23.3 -5.8 75.7 180 181 A A H < S+ 0 0 32 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.785 117.6 32.3 -66.2 -26.8 25.4 -8.0 73.4 181 182 A I H >X S+ 0 0 0 -4,-1.3 3,-2.8 -3,-0.2 4,-0.7 0.555 83.2 109.7-108.6 -7.9 28.0 -5.3 72.9 182 183 A A G >< S+ 0 0 56 -4,-1.4 3,-1.4 1,-0.3 -2,-0.1 0.782 75.5 56.7 -34.0 -52.2 27.9 -3.4 76.3 183 184 A P G 34 S+ 0 0 121 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.715 106.3 51.3 -58.0 -23.8 31.4 -4.7 77.4 184 185 A L G <4 S+ 0 0 27 -3,-2.8 -108,-0.4 2,-0.1 2,-0.2 0.580 97.8 87.1 -91.6 -10.8 33.0 -3.2 74.3 185 186 A L << - 0 0 48 -3,-1.4 2,-0.4 -4,-0.7 -110,-0.2 -0.625 69.4-133.1-100.4 151.9 31.5 0.3 74.6 186 187 A L - 0 0 50 -112,-2.3 -112,-0.4 -2,-0.2 3,-0.1 -0.750 25.2-132.9 -89.1 141.9 32.4 3.5 76.4 187 188 A S S S- 0 0 124 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.760 81.2 -3.3 -69.8 -24.3 29.4 4.9 78.2 188 189 A E S S- 0 0 140 -114,-0.0 -1,-0.2 -3,-0.0 0, 0.0 -0.985 88.3 -77.3-160.9 164.3 30.0 8.4 76.8 189 190 A L - 0 0 18 -2,-0.3 -2,-0.0 -3,-0.1 -134,-0.0 -0.538 54.5-123.2 -68.6 121.4 32.4 10.5 74.7 190 191 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.340 23.8-118.6 -65.7 149.6 35.4 11.3 77.0 191 192 A T > - 0 0 68 1,-0.1 4,-1.8 6,-0.0 5,-0.2 -0.437 26.5-106.3 -82.4 162.9 36.2 15.0 77.5 192 193 A L T 4>S+ 0 0 27 1,-0.2 5,-2.3 2,-0.2 4,-0.5 0.932 123.4 49.2 -53.6 -46.9 39.5 16.4 76.4 193 194 A K T >45S+ 0 0 160 1,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.883 106.1 55.1 -61.9 -40.5 40.6 16.6 80.0 194 195 A Q T 345S+ 0 0 150 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.836 105.5 54.0 -62.9 -31.5 39.5 13.0 80.7 195 196 A L T 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.596 125.5-106.7 -77.2 -10.7 41.8 12.0 77.8 196 197 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.678 80.1 118.3 93.5 20.6 44.6 13.8 79.6 197 198 A F < - 0 0 43 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.805 41.6-165.3-119.4 159.9 44.8 16.8 77.2 198 199 A D + 0 0 129 -2,-0.3 2,-0.3 -3,-0.1 -146,-0.1 -0.991 12.7 166.2-144.2 135.0 44.3 20.5 77.6 199 200 A W + 0 0 54 -2,-0.3 -6,-0.1 -151,-0.1 -7,-0.1 -0.964 14.3 155.9-151.3 131.9 43.8 23.1 74.8 200 201 A D + 0 0 160 -2,-0.3 -1,-0.1 142,-0.1 142,-0.0 0.169 51.0 99.5-141.3 14.9 42.7 26.7 75.0 201 202 A G S S- 0 0 28 1,-0.3 2,-0.1 140,-0.1 -152,-0.0 0.414 77.3-131.4 -88.5 1.9 44.2 28.2 71.9 202 203 A G - 0 0 31 142,-0.0 -1,-0.3 2,-0.0 -2,-0.0 -0.326 20.1 -94.3 82.8-167.6 41.2 28.1 69.6 203 204 A F - 0 0 51 1,-0.1 3,-0.2 -2,-0.1 141,-0.1 -0.963 17.7-117.9-150.0 160.2 40.9 26.8 66.0 204 205 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.794 111.6 8.4 -70.7 -27.8 41.1 28.1 62.4 205 206 A V S S- 0 0 4 37,-0.0 3,-0.1 -3,-0.0 7,-0.1 -0.956 97.9 -98.7-152.2 131.9 37.5 27.0 62.1 206 207 A E - 0 0 116 -2,-0.3 5,-0.0 -3,-0.2 6,-0.0 -0.174 52.0 -92.9 -52.7 144.8 35.3 25.8 65.0 207 208 A P S S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.153 79.5 58.5 -58.8 151.7 35.0 21.9 65.2 208 209 A G S > S- 0 0 0 -155,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.055 84.3 -88.7 109.4 151.7 32.2 20.1 63.5 209 210 A E H > S+ 0 0 10 -152,-0.3 4,-2.6 1,-0.2 5,-0.2 0.929 121.1 52.6 -58.6 -50.3 30.6 19.3 60.2 210 211 A T H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 110.6 44.9 -56.2 -48.1 28.2 22.4 60.5 211 212 A A H > S+ 0 0 27 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.876 112.9 52.6 -66.8 -36.0 31.0 24.9 61.1 212 213 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.939 109.8 47.3 -63.4 -48.2 33.1 23.4 58.3 213 214 A I H X S+ 0 0 35 -4,-2.6 4,-2.3 37,-0.2 -1,-0.2 0.867 111.6 52.0 -60.6 -38.6 30.2 23.7 55.8 214 215 A A H X S+ 0 0 31 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.892 110.1 48.0 -66.6 -41.7 29.6 27.2 56.9 215 216 A R H X S+ 0 0 69 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.931 110.1 51.7 -65.7 -45.7 33.2 28.2 56.5 216 217 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 113.5 45.1 -55.7 -48.2 33.4 26.6 53.0 217 218 A Q H X S+ 0 0 114 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.894 114.5 47.3 -64.0 -41.1 30.3 28.5 52.0 218 219 A E H X S+ 0 0 126 -4,-2.5 4,-1.0 2,-0.2 5,-0.5 0.903 114.2 47.5 -67.0 -42.5 31.5 31.8 53.4 219 220 A F H ><>S+ 0 0 7 -4,-3.0 5,-2.5 1,-0.2 3,-0.9 0.959 113.2 46.4 -63.0 -53.4 34.9 31.5 51.9 220 221 A C H 3<5S+ 0 0 11 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.602 107.7 60.5 -67.3 -11.2 33.6 30.6 48.4 221 222 A D H 3<5S- 0 0 106 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.765 132.0 -21.7 -87.7 -25.9 31.1 33.4 48.6 222 223 A R T X<5S+ 0 0 189 -4,-1.0 3,-2.6 -3,-0.9 4,-0.4 0.401 123.9 57.3-142.6 -75.4 33.7 36.1 49.0 223 224 A A G > 5S+ 0 0 42 -5,-0.5 3,-1.8 1,-0.3 4,-0.2 0.759 97.6 67.5 -39.7 -40.0 37.3 35.7 50.2 224 225 A I G > S+ 0 0 104 -3,-1.8 4,-2.0 -4,-0.4 -1,-0.3 0.271 78.4 119.1-108.6 9.1 41.0 37.4 46.1 227 228 A Y H <> + 0 0 17 -3,-1.4 4,-3.3 -4,-0.2 5,-0.3 0.873 62.4 79.8 -42.0 -47.5 42.8 34.1 47.0 228 229 A D H 4 S+ 0 0 45 -4,-0.3 47,-0.1 1,-0.3 -1,-0.1 -0.944 111.6 2.2-106.5 125.0 45.5 35.2 44.5 229 230 A P H >4 S+ 0 0 61 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.969 123.6 69.4 -95.5 8.6 47.4 37.2 45.6 230 231 A Q H >< S+ 0 0 57 -4,-2.0 3,-1.2 1,-0.3 8,-0.4 0.742 88.6 71.2 -55.7 -23.3 45.9 37.4 49.2 231 232 A R T 3< S+ 0 0 77 -4,-3.3 118,-0.3 -5,-0.3 -1,-0.3 0.796 88.8 63.0 -63.7 -29.1 47.2 33.8 49.9 232 233 A N T < S+ 0 0 33 -3,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.646 88.6 78.3 -71.9 -16.5 50.8 35.0 49.9 233 234 A F X - 0 0 65 -3,-1.2 3,-1.3 -4,-0.3 5,-0.4 -0.824 55.5-166.0-109.6 107.2 50.4 37.3 53.0 234 235 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 181,-0.1 0.747 92.0 60.8 -52.3 -29.8 50.3 35.9 56.5 235 236 A A T 3 S+ 0 0 13 179,-0.5 2,-0.2 2,-0.1 180,-0.1 0.865 97.3 70.2 -69.0 -35.5 49.0 39.2 57.8 236 237 A E S < S- 0 0 100 -3,-1.3 2,-1.5 -6,-0.2 3,-0.2 -0.557 84.2-131.7 -82.8 146.1 46.0 38.9 55.6 237 238 A A + 0 0 99 -2,-0.2 -6,-0.1 1,-0.2 -1,-0.1 -0.529 58.9 139.5 -93.0 66.1 43.3 36.3 56.4 238 239 A G + 0 0 6 -2,-1.5 2,-0.2 -5,-0.4 -1,-0.2 0.451 42.4 76.5 -92.3 -1.7 43.3 35.2 52.8 239 240 A T S S- 0 0 38 -3,-0.2 -16,-0.1 -9,-0.1 -15,-0.0 -0.575 82.9-115.3-104.8 171.5 43.1 31.4 53.2 240 241 A S - 0 0 12 -2,-0.2 -21,-0.1 1,-0.1 -1,-0.1 0.829 28.3-143.9 -75.2 -33.2 40.1 29.2 54.0 241 242 A G + 0 0 9 1,-0.0 4,-0.2 -36,-0.0 -1,-0.1 0.709 62.8 124.8 74.7 19.4 41.3 27.9 57.3 242 243 A L >> + 0 0 1 1,-0.2 4,-2.1 2,-0.1 3,-0.7 0.460 29.6 109.0 -90.0 -2.6 39.6 24.6 56.4 243 244 A S H 3> S+ 0 0 36 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.868 80.7 44.0 -43.5 -52.5 42.8 22.4 56.8 244 245 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 6,-0.3 0.864 111.9 54.7 -66.0 -30.2 41.6 20.7 60.0 245 246 A A H <4>S+ 0 0 0 -3,-0.7 5,-2.1 -4,-0.2 6,-1.4 0.844 112.0 44.3 -68.8 -31.8 38.2 20.1 58.5 246 247 A L H <5S+ 0 0 24 -4,-2.1 3,-0.2 -3,-0.2 -1,-0.2 0.876 112.1 51.8 -79.3 -37.3 39.8 18.5 55.6 247 248 A K H <5S+ 0 0 17 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.891 122.1 31.5 -65.6 -39.1 42.2 16.4 57.7 248 249 A F T <5S- 0 0 7 -4,-2.3 -236,-2.8 -5,-0.2 -1,-0.2 0.378 109.9-118.4-100.4 4.4 39.3 15.1 59.9 249 250 A G T 5 + 0 0 3 -4,-0.3 -3,-0.2 -238,-0.3 -4,-0.1 0.828 63.8 145.4 65.4 32.1 36.7 15.1 57.2 250 251 A A S - 0 0 0 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.648 16.1-131.6 -85.4 143.5 33.7 16.3 52.2 253 254 A I H > S+ 0 0 4 -125,-0.4 4,-2.0 -2,-0.3 -1,-0.1 0.784 108.3 52.9 -64.4 -27.4 36.3 16.8 49.4 254 255 A R H > S+ 0 0 8 -238,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.867 106.9 51.1 -75.9 -36.6 33.5 16.8 46.8 255 256 A Q H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 110.8 50.4 -64.4 -42.8 31.5 19.5 48.6 256 257 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.950 113.3 44.3 -59.2 -50.0 34.7 21.6 48.7 257 258 A W H X S+ 0 0 34 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.912 113.9 49.8 -62.8 -43.3 35.4 21.2 45.0 258 259 A Q H X S+ 0 0 101 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.902 109.6 51.3 -63.1 -41.7 31.7 21.8 44.0 259 260 A A H X S+ 0 0 22 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.925 113.6 43.7 -61.7 -45.8 31.6 25.0 46.1 260 261 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.922 114.4 51.0 -65.1 -42.8 34.7 26.4 44.5 261 262 A S H X S+ 0 0 48 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.890 109.4 49.6 -61.7 -41.9 33.5 25.3 41.1 262 263 A A H X S+ 0 0 57 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.839 109.3 52.9 -66.9 -32.9 30.1 26.9 41.5 263 264 A A H X S+ 0 0 15 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.857 108.3 50.6 -70.4 -34.2 31.9 30.1 42.6 264 265 A H H < S+ 0 0 22 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.848 111.7 47.2 -70.8 -35.1 34.0 30.0 39.4 265 266 A A H < S+ 0 0 77 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.786 114.1 47.9 -75.8 -29.3 30.9 29.6 37.3 266 267 A L H < S+ 0 0 147 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.786 94.3 91.5 -80.8 -31.2 29.1 32.4 39.1 267 268 A S < - 0 0 13 -4,-1.8 3,-0.0 -5,-0.1 -3,-0.0 -0.390 50.1-174.3 -68.1 142.5 32.0 34.8 38.9 268 269 A R + 0 0 193 -2,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.057 58.2 93.6-122.9 20.8 32.1 37.1 35.8 269 270 A S > - 0 0 47 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.966 66.9-145.0-119.1 128.9 35.6 38.5 36.6 270 271 A D H > S+ 0 0 137 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.914 101.5 51.3 -56.3 -46.8 38.8 37.2 35.2 271 272 A E H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 111.7 46.6 -58.7 -43.9 40.8 37.9 38.3 272 273 A A H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 110.4 53.6 -63.5 -46.1 38.3 36.1 40.5 273 274 A R H X S+ 0 0 90 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.941 111.0 46.4 -52.1 -52.2 38.2 33.2 38.1 274 275 A N H X S+ 0 0 80 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.887 109.5 54.5 -58.6 -41.9 41.9 32.9 38.4 275 276 A S H X S+ 0 0 1 -4,-2.3 4,-1.7 -50,-0.3 -1,-0.2 0.899 111.0 45.5 -59.5 -41.5 41.8 33.2 42.2 276 277 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.864 110.5 52.0 -71.1 -37.4 39.4 30.3 42.4 277 278 A R H X S+ 0 0 107 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.906 108.6 53.3 -65.3 -39.4 41.4 28.2 39.9 278 279 A V H X S+ 0 0 23 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.909 107.6 49.3 -61.6 -42.9 44.4 28.8 42.1 279 280 A W H >X S+ 0 0 8 -4,-1.7 4,-1.2 1,-0.2 3,-0.5 0.918 109.0 53.0 -63.2 -40.6 42.5 27.6 45.2 280 281 A Q H 3X S+ 0 0 4 -4,-2.2 4,-1.1 1,-0.3 -1,-0.2 0.839 102.2 60.3 -61.8 -31.6 41.5 24.5 43.3 281 282 A Q H 3X S+ 0 0 37 -4,-1.7 4,-2.2 1,-0.2 3,-0.3 0.875 97.3 59.1 -62.4 -38.5 45.1 24.0 42.5 282 283 A E H < + 0 0 45 -4,-3.3 3,-2.2 -5,-0.2 4,-0.3 -0.618 66.3 169.4-124.2 71.2 55.9 5.7 48.1 297 298 A P G > S+ 0 0 69 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.739 71.5 71.5 -54.3 -25.9 55.2 4.8 51.8 298 299 A S G > S+ 0 0 58 1,-0.3 3,-2.6 2,-0.2 4,-0.4 0.718 76.3 82.7 -65.9 -18.3 59.0 5.0 52.6 299 300 A L G X S+ 0 0 6 -3,-2.2 3,-1.5 1,-0.3 -1,-0.3 0.864 82.0 63.3 -51.4 -36.1 58.7 8.8 52.2 300 301 A A G < S+ 0 0 27 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.667 88.3 71.0 -64.3 -17.0 57.4 8.8 55.7 301 302 A D G < S- 0 0 119 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.689 112.3 -97.4 -75.2 -18.3 60.8 7.5 56.9 302 303 A G S < S+ 0 0 3 -3,-1.5 -1,-0.3 -4,-0.4 7,-0.1 -0.918 87.1 24.5 134.9-162.1 62.6 10.7 56.3 303 304 A P - 0 0 12 0, 0.0 93,-0.1 0, 0.0 87,-0.0 -0.078 61.9-167.2 -39.5 118.8 64.8 12.2 53.4 304 305 A Y + 0 0 69 91,-0.7 92,-0.2 4,-0.1 5,-0.1 0.958 57.9 77.1 -79.7 -58.7 63.7 10.2 50.4 305 306 A R S >> S- 0 0 117 90,-3.4 4,-1.2 1,-0.1 3,-0.6 -0.317 85.9-119.0 -60.5 137.0 66.3 10.9 47.7 306 307 A S H >> S+ 0 0 82 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.836 109.5 55.0 -43.7 -51.6 69.6 9.0 48.1 307 308 A L H >4 S+ 0 0 40 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.921 109.5 48.9 -52.3 -47.0 71.9 12.0 48.5 308 309 A W H X4 S+ 0 0 12 -3,-0.6 3,-1.3 1,-0.3 -1,-0.3 0.729 96.2 68.1 -68.8 -22.7 69.8 13.3 51.3 309 310 A Q H << S+ 0 0 132 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.687 108.5 43.0 -68.6 -14.1 69.7 10.0 53.2 310 311 A Q T << S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.234 80.2 137.0-113.5 10.0 73.4 10.8 53.6 311 312 A F < - 0 0 10 -3,-1.3 2,-1.9 1,-0.1 -3,-0.1 -0.394 58.6-125.6 -64.1 133.5 73.3 14.5 54.5 312 313 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.502 31.7-164.0 -79.5 73.7 75.7 15.4 57.4 313 314 A W - 0 0 32 -2,-1.9 51,-0.1 1,-0.1 50,-0.1 -0.375 14.0-150.9 -61.6 131.8 73.1 17.1 59.7 314 315 A E - 0 0 71 49,-1.1 50,-0.2 -2,-0.1 -1,-0.1 0.938 19.1-167.3 -69.2 -48.2 74.8 19.1 62.4 315 316 A N - 0 0 73 48,-1.7 2,-1.1 47,-0.2 49,-0.1 0.955 8.4-177.1 59.6 58.4 71.9 18.6 64.9 316 317 A R >> - 0 0 117 46,-0.5 4,-1.5 1,-0.2 3,-1.2 -0.778 14.8-156.0 -87.8 104.3 72.7 21.2 67.6 317 318 A E H 3> S+ 0 0 98 -2,-1.1 4,-2.9 1,-0.3 5,-0.2 0.836 89.4 60.3 -47.1 -41.1 69.9 20.5 70.1 318 319 A A H 3> S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.857 103.2 49.9 -59.3 -38.5 70.2 24.0 71.5 319 320 A L H <> S+ 0 0 7 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.887 111.7 48.9 -68.2 -38.2 69.4 25.6 68.1 320 321 A F H X S+ 0 0 15 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.950 109.9 51.2 -64.6 -50.3 66.3 23.3 67.7 321 322 A T H X S+ 0 0 48 -4,-2.9 4,-1.7 1,-0.3 -2,-0.2 0.930 109.5 50.3 -53.0 -48.4 65.1 24.1 71.2 322 323 A A H <>S+ 0 0 14 -4,-2.2 5,-3.0 1,-0.2 6,-0.3 0.902 111.0 50.6 -57.6 -40.2 65.4 27.8 70.4 323 324 A W H ><5S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.940 109.4 48.6 -63.4 -49.1 63.4 27.2 67.2 324 325 A T H 3<5S+ 0 0 23 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.749 113.9 48.5 -64.2 -23.4 60.6 25.4 69.0 325 326 A Q T 3<5S- 0 0 123 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.363 112.2-116.6 -99.0 5.2 60.4 28.1 71.6 326 327 A A T < 5S+ 0 0 2 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.1 0.893 80.2 123.3 61.1 42.0 60.4 31.0 69.1 327 328 A Q < + 0 0 74 -5,-3.0 -4,-0.2 -6,-0.2 -5,-0.1 -0.108 25.0 114.8-122.2 32.5 63.7 32.3 70.4 328 329 A T S S- 0 0 0 -6,-0.3 125,-2.9 2,-0.2 126,-0.4 0.767 78.9-125.1 -74.5 -27.2 65.7 32.3 67.2 329 330 A G S S+ 0 0 2 123,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.409 78.9 114.0 95.1 -3.5 66.1 36.0 67.1 330 331 A Y > - 0 0 25 1,-0.2 4,-3.0 121,-0.2 3,-0.5 -0.898 58.1-154.0-103.8 104.3 64.6 36.2 63.6 331 332 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.864 91.7 49.7 -43.7 -53.5 61.3 38.1 63.9 332 333 A I H > S+ 0 0 14 104,-0.4 4,-1.1 1,-0.2 22,-0.1 0.897 116.2 44.4 -59.2 -38.0 59.5 36.5 60.9 333 334 A V H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.936 114.9 46.2 -71.5 -47.0 60.5 33.0 62.2 334 335 A D H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.863 108.9 54.9 -65.2 -37.1 59.6 33.6 65.9 335 336 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.864 111.1 47.2 -64.0 -34.8 56.2 35.2 65.1 336 337 A A H X S+ 0 0 1 -4,-1.1 4,-2.2 -5,-0.3 -2,-0.2 0.942 110.9 48.9 -72.5 -48.1 55.3 32.1 63.1 337 338 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.858 111.1 52.4 -60.8 -34.5 56.5 29.6 65.7 338 339 A R H X S+ 0 0 48 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.947 107.2 50.3 -66.4 -48.3 54.5 31.5 68.3 339 340 A Q H X S+ 0 0 18 -4,-1.9 4,-2.7 1,-0.2 6,-0.7 0.895 112.3 50.9 -55.8 -40.1 51.3 31.5 66.2 340 341 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.976 114.1 39.5 -61.3 -59.4 51.8 27.7 65.9 341 342 A T H < S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.841 123.1 42.6 -63.2 -32.3 52.3 26.9 69.5 342 343 A E H < S+ 0 0 92 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.841 131.8 17.8 -84.9 -33.3 49.6 29.3 70.6 343 344 A T H < S- 0 0 32 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.453 92.4-124.3-118.5 -4.0 46.9 28.6 68.0 344 345 A G S < S+ 0 0 1 -4,-2.6 34,-3.0 -5,-0.4 35,-0.4 0.711 82.2 84.7 68.0 20.3 47.9 25.2 66.6 345 346 A W - 0 0 41 -6,-0.7 2,-0.3 32,-0.2 -2,-0.3 -0.993 53.5-167.8-151.1 151.0 47.9 26.7 63.0 346 347 A M - 0 0 0 -2,-0.3 2,-0.1 -3,-0.1 5,-0.1 -0.998 32.2-106.7-144.7 139.6 50.4 28.5 60.8 347 348 A H >> - 0 0 5 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.421 34.8-122.2 -62.3 134.0 50.0 30.4 57.5 348 349 A N H 3> S+ 0 0 99 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.818 112.0 56.3 -49.9 -38.9 51.6 28.3 54.7 349 350 A R H 3> S+ 0 0 40 -118,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.923 110.2 47.5 -61.1 -40.2 54.0 31.0 53.7 350 351 A C H <> S+ 0 0 4 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.880 107.8 53.7 -67.9 -38.3 55.2 31.0 57.3 351 352 A R H X S+ 0 0 46 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.942 108.3 51.4 -61.5 -43.2 55.5 27.2 57.4 352 353 A M H X S+ 0 0 41 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.904 113.3 46.1 -57.9 -42.0 57.7 27.4 54.3 353 354 A I H X S+ 0 0 4 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.967 114.2 42.9 -67.5 -55.8 59.9 30.0 56.0 354 355 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.826 116.4 50.5 -62.6 -30.7 60.4 28.3 59.5 355 356 A A H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.927 111.4 46.5 -71.8 -46.5 60.9 25.0 57.7 356 357 A S H X>S+ 0 0 1 -4,-2.2 4,-3.1 -5,-0.3 5,-0.8 0.926 114.5 50.3 -59.5 -43.0 63.5 26.5 55.4 357 358 A F H X>S+ 0 0 2 -4,-3.0 5,-2.4 3,-0.2 4,-1.2 0.949 111.8 45.6 -60.2 -52.6 65.1 28.2 58.4 358 359 A L H <5S+ 0 0 0 -4,-2.7 6,-1.7 3,-0.2 -1,-0.2 0.908 123.4 34.7 -58.6 -44.7 65.2 25.0 60.5 359 360 A T H <5S+ 0 0 0 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.939 130.3 28.6 -78.1 -49.3 66.6 22.9 57.7 360 361 A K H <5S+ 0 0 16 -4,-3.1 -3,-0.2 -5,-0.3 103,-0.2 0.917 131.4 30.6 -80.3 -48.1 68.9 25.3 55.9 361 362 A D T < - 0 0 20 -2,-0.4 3,-2.2 1,-0.2 4,-0.5 -0.219 40.7-133.0 -40.8 115.5 67.6 16.8 60.4 366 367 A W T 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-0.4 0.633 96.6 81.1 -57.9 -11.2 64.2 18.1 59.2 367 368 A R H 3> S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.846 85.9 58.7 -63.3 -30.4 62.5 15.1 60.9 368 369 A R H <> S+ 0 0 71 -3,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 109.8 43.7 -64.8 -35.6 62.8 17.0 64.2 369 370 A G H > S+ 0 0 0 -4,-0.5 4,-2.7 -3,-0.4 -2,-0.2 0.899 110.6 52.9 -75.0 -42.4 60.7 19.8 62.7 370 371 A E H X S+ 0 0 21 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 112.9 46.8 -56.8 -45.0 58.2 17.4 61.0 371 372 A Q H X S+ 0 0 68 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.906 110.4 51.0 -64.6 -44.4 57.7 15.9 64.4 372 373 A F H < S+ 0 0 19 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.884 110.2 50.1 -63.3 -37.4 57.4 19.2 66.2 373 374 A F H >X S+ 0 0 6 -4,-2.7 4,-3.1 1,-0.2 3,-1.5 0.924 109.8 50.5 -65.3 -44.5 54.8 20.3 63.7 374 375 A M H 3< S+ 0 0 26 -4,-2.2 -327,-0.3 1,-0.3 -1,-0.2 0.829 106.2 56.8 -61.9 -31.3 52.8 17.1 64.2 375 376 A Q T 3< S+ 0 0 51 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.565 123.5 22.7 -77.6 -6.1 53.0 17.7 67.9 376 377 A H T <4 S+ 0 0 53 -3,-1.5 2,-0.4 -4,-0.3 -2,-0.2 0.586 92.0 104.4-134.0 -18.1 51.3 21.1 67.5 377 378 A L >< - 0 0 1 -4,-3.1 3,-1.2 1,-0.2 -330,-0.2 -0.578 50.0-156.8 -78.4 126.5 49.3 21.3 64.3 378 379 A V T 3 S+ 0 0 0 -34,-3.0 -1,-0.2 -2,-0.4 -33,-0.1 0.730 105.5 40.2 -69.0 -20.0 45.5 21.1 64.5 379 380 A D T 3 S+ 0 0 12 -35,-0.4 -1,-0.3 -132,-0.1 -5,-0.1 0.228 83.1 161.3-110.3 11.9 45.7 19.9 60.9 380 381 A G < + 0 0 0 -3,-1.2 2,-0.4 -7,-0.2 -333,-0.1 -0.079 13.0 174.0 -39.1 111.8 48.8 17.8 61.4 381 382 A D > - 0 0 21 1,-0.1 4,-4.2 2,-0.0 5,-0.4 -0.979 32.5-145.2-134.5 120.9 48.8 15.5 58.4 382 383 A L H > S+ 0 0 39 -2,-0.4 4,-3.1 1,-0.2 5,-0.4 0.898 99.5 46.3 -47.2 -56.8 51.5 13.0 57.5 383 384 A A H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 122.8 35.1 -55.5 -49.5 51.2 13.4 53.7 384 385 A A H > S+ 0 0 49 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.899 120.4 47.6 -74.1 -42.8 51.1 17.2 53.7 385 386 A N H X S+ 0 0 11 -4,-4.2 4,-2.2 2,-0.2 -3,-0.2 0.929 115.5 44.4 -65.8 -45.3 53.5 17.6 56.7 386 387 A N H X S+ 0 0 5 -4,-3.1 4,-2.6 -5,-0.4 5,-0.3 0.892 113.1 53.0 -65.6 -38.7 56.1 15.2 55.2 387 388 A G H X S+ 0 0 7 -4,-1.5 4,-1.7 -5,-0.4 -2,-0.2 0.932 109.5 49.0 -61.7 -44.2 55.6 16.8 51.9 388 389 A G H X S+ 0 0 30 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.893 115.4 42.4 -62.5 -41.8 56.3 20.2 53.4 389 390 A W H < S+ 0 0 2 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.799 111.6 52.3 -77.7 -29.9 59.4 19.1 55.2 390 391 A Q H >X>S+ 0 0 5 -4,-2.6 5,-2.3 1,-0.2 3,-1.3 0.853 107.5 58.2 -69.6 -32.0 60.8 17.0 52.3 391 392 A W H ><5S+ 0 0 79 -4,-1.7 3,-0.6 -5,-0.3 -2,-0.2 0.835 89.8 68.8 -63.7 -35.7 60.2 20.3 50.4 392 393 A S T 3<5S+ 0 0 0 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.531 120.1 20.3 -65.2 -2.4 62.5 22.3 52.7 393 394 A A T <45S- 0 0 3 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.300 100.6-120.3-144.6 4.4 65.4 20.3 51.2 394 395 A S T <<5S+ 0 0 24 -3,-0.6 -3,-0.2 -4,-0.6 -86,-0.1 0.870 71.3 136.5 51.3 36.5 64.0 19.0 47.9 395 396 A S < + 0 0 0 -5,-2.3 -90,-3.4 -6,-0.2 -91,-0.7 0.449 64.6 24.0 -93.0 -0.2 64.7 15.6 49.4 396 397 A G S S- 0 0 3 -6,-0.5 -9,-0.1 1,-0.4 -88,-0.0 0.062 109.3 -0.6-127.1-123.7 61.5 14.0 48.3 397 398 A M S S+ 0 0 20 1,-0.2 -1,-0.4 -2,-0.0 -250,-0.2 -0.254 118.7 14.2 -71.5 161.6 58.9 14.6 45.6 398 399 A D S S- 0 0 25 -252,-3.4 -1,-0.2 1,-0.1 -251,-0.1 0.849 85.9-158.1 38.7 56.0 59.0 17.4 43.0 399 400 A P - 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