==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-03 1UQ4 . COMPND 2 MOLECULE: RICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR C.J.MARSDEN,V.FULOP . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 1 1 0 0 0 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 2 1 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 5 A Q 0 0 246 0, 0.0 3,-0.1 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 -10.5 80.3 -21.4 96.7 2 6 A Y - 0 0 28 1,-0.1 52,-0.1 52,-0.0 49,-0.1 -0.642 360.0 -87.9 -69.0 146.6 76.7 -21.5 95.5 3 7 A P - 0 0 38 0, 0.0 52,-2.7 0, 0.0 2,-0.4 -0.201 45.1-151.4 -55.5 142.2 75.9 -17.9 94.3 4 8 A I E -a 55 0A 88 50,-0.2 2,-0.4 -3,-0.1 52,-0.2 -0.967 10.4-168.7-117.0 139.7 74.5 -15.6 97.0 5 9 A I E -a 56 0A 13 50,-2.6 52,-2.2 -2,-0.4 2,-0.3 -0.995 15.2-146.5-123.1 132.1 72.1 -12.6 96.4 6 10 A N E +a 57 0A 104 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.695 20.0 172.1 -97.3 145.6 71.5 -10.2 99.3 7 11 A F E -a 58 0A 12 50,-2.4 52,-2.0 -2,-0.3 2,-0.4 -0.980 10.4-163.3-146.6 141.4 68.3 -8.3 100.1 8 12 A T E -a 59 0A 53 -2,-0.3 52,-0.2 50,-0.2 50,-0.1 -0.991 20.5-157.6-122.9 141.1 67.3 -6.2 103.0 9 13 A T > + 0 0 1 50,-1.9 3,-1.6 -2,-0.4 2,-0.5 0.630 69.9 106.8 -76.0 -17.9 63.9 -5.0 104.3 10 14 A A T 3 S- 0 0 34 49,-0.3 -2,-0.1 1,-0.3 49,-0.0 -0.557 106.3 -14.5 -67.1 115.7 65.7 -2.2 106.0 11 15 A G T 3 S+ 0 0 77 -2,-0.5 -1,-0.3 1,-0.2 5,-0.1 0.773 94.4 179.4 64.1 25.6 64.9 0.9 104.0 12 16 A A < - 0 0 17 -3,-1.6 2,-0.3 4,-0.1 -1,-0.2 -0.284 3.9-174.7 -60.1 143.1 63.6 -1.3 101.1 13 17 A T > - 0 0 72 1,-0.1 4,-2.4 0, 0.0 5,-0.3 -0.836 43.0-100.0-130.1 169.3 62.4 0.6 98.0 14 18 A V H > S+ 0 0 14 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.934 124.6 50.7 -53.6 -43.4 60.7 -0.5 94.8 15 19 A Q H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 109.4 46.6 -67.2 -39.4 64.1 -0.1 93.2 16 20 A S H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 115.5 46.7 -72.5 -33.3 66.1 -2.2 95.7 17 21 A Y H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.935 111.8 50.8 -70.2 -42.3 63.5 -5.0 95.6 18 22 A T H X S+ 0 0 24 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.921 110.6 49.3 -56.3 -51.2 63.4 -4.9 91.7 19 23 A N H X S+ 0 0 90 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.885 112.6 50.0 -51.3 -44.6 67.3 -5.1 91.6 20 24 A F H X S+ 0 0 8 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.950 111.5 44.5 -68.2 -46.7 67.1 -8.1 94.0 21 25 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.912 112.7 53.1 -66.5 -36.8 64.4 -10.0 92.1 22 26 A R H X S+ 0 0 165 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.1 48.8 -62.2 -42.8 66.3 -9.4 88.8 23 27 A A H X S+ 0 0 21 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.861 109.5 50.9 -62.8 -42.6 69.5 -10.8 90.3 24 28 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 3,-0.5 0.926 111.1 48.6 -60.5 -47.0 67.7 -13.9 91.6 25 29 A R H X S+ 0 0 45 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.905 108.4 55.0 -59.2 -40.7 66.2 -14.5 88.1 26 30 A G H < S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.786 113.1 41.3 -68.5 -25.7 69.7 -14.1 86.6 27 31 A R H < S+ 0 0 147 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.666 111.7 57.1 -92.2 -20.4 71.2 -16.8 89.0 28 32 A L H < S+ 0 0 4 -4,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.881 116.2 20.4 -72.0 -43.6 68.2 -19.1 88.6 29 33 A T < - 0 0 20 -4,-1.9 -1,-0.2 1,-0.2 12,-0.1 -0.964 58.4-150.2-130.6 148.6 68.2 -19.5 84.7 30 34 A T - 0 0 123 -2,-0.4 -1,-0.2 10,-0.2 11,-0.1 0.945 41.0-115.8 -74.4 -52.2 70.9 -19.0 82.1 31 35 A G S S+ 0 0 42 9,-0.3 3,-0.1 2,-0.1 10,-0.1 0.330 82.6 121.4 106.7 6.5 68.8 -18.0 79.1 32 36 A A S S+ 0 0 93 1,-0.2 2,-0.5 8,-0.1 -3,-0.0 0.868 77.2 44.5 -58.5 -29.0 69.9 -21.1 77.3 33 37 A D + 0 0 33 7,-0.4 7,-2.9 2,-0.0 2,-0.4 -0.950 62.4 157.9-137.3 106.2 66.2 -21.9 77.1 34 38 A V E -F 39 0B 74 -2,-0.5 2,-0.5 5,-0.3 3,-0.0 -0.995 15.9-169.2-129.4 127.1 63.5 -19.5 76.2 35 39 A R E > S-F 38 0B 15 3,-2.6 3,-2.1 -2,-0.4 180,-0.1 -0.994 79.2 -12.7-119.1 120.9 60.1 -20.7 74.8 36 40 A H T 3 S- 0 0 75 -2,-0.5 -1,-0.1 1,-0.3 179,-0.0 0.877 129.2 -56.1 53.9 37.6 57.8 -17.9 73.4 37 41 A E T 3 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.490 116.2 115.5 76.7 0.3 60.1 -15.3 74.9 38 42 A I E < -F 35 0B 3 -3,-2.1 -3,-2.6 212,-0.0 -1,-0.2 -0.919 65.2-125.8-110.9 120.8 59.6 -16.8 78.4 39 43 A P E -F 34 0B 38 0, 0.0 212,-1.8 0, 0.0 2,-0.4 -0.276 17.6-144.0 -60.8 151.3 62.8 -18.3 80.1 40 44 A V B -g 251 0C 4 -7,-2.9 -7,-0.4 210,-0.2 -9,-0.3 -0.905 16.1-121.6-119.0 136.0 62.9 -21.9 81.4 41 45 A L - 0 0 0 210,-3.2 32,-0.1 -2,-0.4 -12,-0.1 -0.309 49.8 -75.4 -64.5 159.4 64.7 -23.0 84.5 42 46 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 211,-0.3 -0.292 50.7-106.5 -61.4 141.8 67.4 -25.7 84.1 43 47 A N - 0 0 57 1,-0.1 4,-0.1 2,-0.1 30,-0.1 -0.543 20.7-141.6 -61.8 126.4 66.2 -29.2 83.6 44 48 A R S > S+ 0 0 90 -2,-0.3 3,-1.9 209,-0.2 2,-0.3 0.818 75.9 99.8 -60.2 -26.8 66.8 -31.2 86.8 45 49 A V T 3 S- 0 0 116 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 -0.467 104.1 -4.7 -68.2 119.5 67.8 -34.3 84.7 46 50 A G T 3 S+ 0 0 78 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.555 92.4 151.4 79.3 4.0 71.6 -34.5 84.6 47 51 A L < - 0 0 33 -3,-1.9 -1,-0.2 -4,-0.1 5,-0.1 -0.622 48.4-119.4 -73.9 123.4 72.1 -31.1 86.4 48 52 A P > - 0 0 59 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.269 14.3-123.5 -59.8 140.9 75.4 -31.1 88.3 49 53 A I G > S+ 0 0 56 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.845 109.8 64.2 -55.7 -32.4 75.1 -30.7 92.1 50 54 A N G 3 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.562 108.4 41.7 -69.8 -7.7 77.4 -27.6 91.9 51 55 A Q G < S+ 0 0 107 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.245 91.1 93.9-116.0 12.8 74.8 -25.9 89.8 52 56 A R S < S+ 0 0 20 -3,-1.7 20,-2.5 -4,-0.2 21,-0.4 0.704 81.4 30.8 -83.0 -32.1 71.8 -27.0 91.8 53 57 A F E - B 0 71A 4 -4,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.891 49.9-160.2-128.3 162.9 71.1 -24.2 94.3 54 58 A I E - B 0 70A 2 16,-2.0 16,-2.8 -2,-0.3 2,-0.4 -0.917 20.8-132.5-133.4 164.6 71.4 -20.5 94.9 55 59 A L E -aB 4 69A 20 -52,-2.7 -50,-2.6 -2,-0.3 2,-0.6 -0.948 8.7-162.3-126.7 133.0 71.3 -18.7 98.3 56 60 A V E -aB 5 68A 0 12,-2.9 12,-2.8 -2,-0.4 2,-0.8 -0.954 10.7-157.4-113.0 110.7 69.3 -15.6 99.2 57 61 A E E -aB 6 67A 54 -52,-2.2 -50,-2.4 -2,-0.6 2,-0.4 -0.827 12.2-164.8 -92.9 117.2 70.7 -13.8 102.3 58 62 A L E -aB 7 66A 0 8,-2.9 8,-2.4 -2,-0.8 2,-0.3 -0.846 8.6-178.9-106.7 133.1 67.9 -11.8 103.9 59 63 A S E -aB 8 65A 30 -52,-2.0 -50,-1.9 -2,-0.4 -49,-0.3 -0.856 7.5-158.3-124.8 159.0 68.6 -9.1 106.5 60 64 A N > - 0 0 3 4,-1.6 3,-2.2 -2,-0.3 4,-0.1 -0.808 37.5 -96.7-133.5 173.1 66.2 -6.9 108.3 61 65 A H T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.2 -53,-0.0 0.837 120.4 66.8 -61.5 -29.6 66.1 -3.5 110.2 62 66 A A T 3 S- 0 0 51 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.453 116.6-116.2 -66.5 -1.3 66.5 -5.6 113.4 63 67 A E S < S+ 0 0 166 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.828 72.3 133.1 68.8 31.3 70.0 -6.5 112.2 64 68 A L - 0 0 18 -4,-0.1 -4,-1.6 2,-0.0 2,-0.4 -0.869 36.9-163.7-107.7 142.8 69.2 -10.2 111.9 65 69 A S E +B 59 0A 40 -2,-0.4 2,-0.3 -6,-0.2 18,-0.3 -0.988 11.1 179.5-123.9 148.3 70.0 -12.3 108.8 66 70 A V E -B 58 0A 1 -8,-2.4 -8,-2.9 -2,-0.4 2,-0.5 -0.962 20.7-138.4-131.0 154.2 68.8 -15.7 107.6 67 71 A T E -BC 57 81A 4 14,-2.9 14,-2.4 -2,-0.3 2,-0.3 -0.959 12.9-158.5-114.4 117.6 69.9 -17.5 104.4 68 72 A L E -BC 56 80A 0 -12,-2.8 -12,-2.9 -2,-0.5 2,-0.5 -0.742 8.7-144.7 -86.9 144.5 67.3 -19.2 102.2 69 73 A A E -BC 55 79A 0 10,-2.5 9,-2.9 -2,-0.3 10,-1.0 -0.937 16.6-165.5-105.0 126.6 68.4 -22.0 99.8 70 74 A L E -BC 54 77A 0 -16,-2.8 -16,-2.0 -2,-0.5 2,-0.5 -0.935 19.1-129.1-113.4 138.4 66.4 -22.1 96.5 71 75 A D E >> -B 53 0A 5 5,-2.4 4,-2.0 -2,-0.4 3,-1.1 -0.750 13.5-146.4 -78.3 127.7 66.5 -25.0 94.1 72 76 A V T 34 S+ 0 0 4 -20,-2.5 -1,-0.1 -2,-0.5 -19,-0.1 0.698 92.2 67.1 -72.1 -16.9 67.2 -23.6 90.6 73 77 A T T 34 S+ 0 0 7 -21,-0.4 180,-0.5 1,-0.2 -1,-0.2 0.714 125.6 7.1 -77.1 -22.7 65.0 -26.3 88.9 74 78 A N T <4 S- 0 0 49 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.406 91.9-122.1-138.0 4.7 61.8 -24.8 90.4 75 79 A A < + 0 0 0 -4,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.551 65.1 142.2 63.2 9.5 62.8 -21.6 92.2 76 80 A Y - 0 0 33 -5,-0.4 -5,-2.4 1,-0.1 2,-0.4 -0.489 58.7-109.8 -92.3 147.2 61.4 -23.0 95.4 77 81 A V E +C 70 0A 3 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.612 33.8 175.8 -63.3 120.6 62.8 -22.5 99.0 78 82 A V E - 0 0 27 -9,-2.9 11,-2.1 -2,-0.4 2,-0.3 0.558 59.9 -35.6-102.4 -16.9 64.2 -25.9 100.2 79 83 A G E -CD 69 88A 2 -10,-1.0 -10,-2.5 9,-0.3 -1,-0.4 -0.968 54.9-128.1-178.8-176.6 65.6 -24.8 103.5 80 84 A Y E -CD 68 87A 0 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.982 5.0-140.1-151.1 157.8 67.3 -22.0 105.5 81 85 A R E +CD 67 86A 77 -14,-2.4 -14,-2.9 -2,-0.3 2,-0.4 -0.979 14.6 177.2-116.2 139.9 70.3 -21.2 107.7 82 86 A A E > - D 0 85A 5 3,-2.7 3,-1.9 -2,-0.4 -16,-0.1 -0.937 66.1 -55.2-132.0 110.7 70.2 -18.9 110.8 83 87 A G T 3 S- 0 0 39 -2,-0.4 -1,-0.0 -18,-0.3 65,-0.0 -0.355 122.7 -9.6 64.3-129.5 73.5 -18.7 112.6 84 88 A N T 3 S+ 0 0 73 23,-0.1 25,-1.5 -3,-0.1 2,-0.3 0.174 123.2 75.7 -96.1 19.0 74.7 -22.2 113.6 85 89 A S E < -De 82 109A 11 -3,-1.9 -3,-2.7 23,-0.2 2,-0.3 -0.975 53.7-173.4-126.5 141.4 71.4 -24.1 112.7 86 90 A A E -De 81 110A 0 23,-2.6 25,-2.2 -2,-0.3 2,-0.4 -0.978 4.4-164.6-131.3 149.7 69.9 -25.1 109.3 87 91 A Y E -De 80 111A 15 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.4 -0.999 3.1-165.1-137.9 135.3 66.5 -26.6 108.6 88 92 A F E -De 79 112A 3 23,-2.0 25,-3.0 -2,-0.4 -9,-0.3 -0.935 25.1-113.6-125.7 139.7 65.3 -28.2 105.4 89 93 A F - 0 0 16 -11,-2.1 27,-0.2 -2,-0.4 25,-0.1 -0.331 54.7 -80.1 -59.8 151.8 61.9 -29.1 104.2 90 94 A H - 0 0 101 25,-2.5 27,-0.2 1,-0.1 -1,-0.1 -0.343 55.3-118.3 -56.5 116.4 61.1 -32.8 104.0 91 95 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 7.5-139.6 -62.7 143.6 62.7 -34.1 100.7 92 96 A D S S- 0 0 143 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.694 79.4 -7.1 -74.2 -22.5 60.4 -35.6 98.0 93 97 A N S > S- 0 0 71 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.953 80.7 -85.4-164.8 176.4 62.8 -38.4 97.1 94 98 A Q H > S+ 0 0 157 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.858 120.9 55.4 -69.0 -37.8 66.4 -39.8 97.7 95 99 A E H > S+ 0 0 153 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 110.2 46.6 -60.6 -46.4 68.1 -37.6 95.0 96 100 A D H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.865 110.2 53.6 -61.3 -39.5 66.7 -34.4 96.8 97 101 A A H X S+ 0 0 30 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.894 112.3 44.4 -63.6 -40.1 67.8 -35.7 100.2 98 102 A E H >< S+ 0 0 96 -4,-2.2 3,-0.9 2,-0.2 4,-0.3 0.923 109.8 56.2 -66.7 -45.8 71.3 -36.2 98.9 99 103 A A H >< S+ 0 0 2 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.897 102.0 55.8 -53.6 -45.9 71.4 -32.8 97.1 100 104 A I H >< S+ 0 0 15 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.761 90.1 73.1 -68.5 -14.4 70.5 -30.9 100.4 101 105 A T T << S+ 0 0 75 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.697 91.0 62.2 -65.6 -12.9 73.6 -32.5 102.1 102 106 A H T < S+ 0 0 69 -3,-2.0 2,-0.4 -4,-0.3 3,-0.3 0.448 88.6 88.5 -94.3 -0.1 75.6 -30.0 99.9 103 107 A L S < S- 0 0 1 -3,-1.9 -34,-0.0 1,-0.2 -3,-0.0 -0.788 101.3 -6.7-101.9 138.8 74.0 -26.9 101.4 104 108 A F S > S+ 0 0 22 -2,-0.4 3,-1.7 1,-0.1 -1,-0.2 0.877 75.6 175.0 52.8 46.2 75.3 -25.1 104.6 105 109 A T T 3 + 0 0 99 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.739 69.4 51.1 -67.5 -20.8 77.9 -27.8 105.0 106 110 A D T 3 S+ 0 0 138 3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.486 78.7 118.3 -90.9 -0.4 79.8 -26.2 108.0 107 111 A V < - 0 0 12 -3,-1.7 3,-0.1 1,-0.1 -23,-0.1 -0.399 58.4-147.8 -62.6 135.4 76.6 -25.6 110.0 108 112 A Q S S+ 0 0 154 1,-0.2 2,-0.5 -24,-0.2 -23,-0.2 0.792 83.4 48.3 -80.3 -24.5 76.9 -27.5 113.3 109 113 A N E +e 85 0A 62 -25,-1.5 -23,-2.6 2,-0.0 2,-0.4 -0.940 66.5 176.1-121.5 109.5 73.2 -28.2 113.7 110 114 A R E +e 86 0A 93 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.920 4.0 178.5-115.7 130.1 71.3 -29.6 110.6 111 115 A Y E -e 87 0A 109 -25,-2.2 -23,-2.0 -2,-0.4 2,-0.5 -0.994 18.8-153.2-130.0 140.8 67.7 -30.5 110.9 112 116 A T E -e 88 0A 81 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.970 22.9-133.9-110.4 123.1 65.2 -31.9 108.3 113 117 A F - 0 0 17 -25,-3.0 -26,-0.0 -2,-0.5 -2,-0.0 -0.349 9.8-132.5 -62.2 154.1 61.5 -31.1 109.0 114 118 A A S S+ 0 0 92 -24,-0.1 2,-0.2 -25,-0.1 -1,-0.1 0.670 87.4 71.1 -82.9 -11.3 58.9 -34.0 108.7 115 119 A F S S- 0 0 32 1,-0.1 -25,-2.5 6,-0.0 -2,-0.1 -0.648 82.8-119.4-110.2 156.9 56.7 -31.7 106.6 116 120 A G - 0 0 14 -2,-0.2 -1,-0.1 -27,-0.2 -2,-0.1 -0.291 21.8-119.0 -86.5 173.4 57.1 -30.4 103.0 117 121 A G S S+ 0 0 10 -27,-0.2 -40,-0.1 -40,-0.1 2,-0.1 0.163 70.4 125.4-101.4 19.5 57.3 -26.7 102.1 118 122 A N S > S- 0 0 82 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.426 71.0-117.3 -74.6 154.4 54.2 -26.8 99.9 119 123 A Y H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.812 110.3 60.8 -63.9 -34.1 51.4 -24.4 100.6 120 124 A D H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.967 114.3 37.8 -58.8 -48.2 48.7 -27.0 101.5 121 125 A R H > S+ 0 0 103 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.918 115.4 50.2 -65.2 -51.5 51.0 -28.1 104.4 122 126 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 6,-0.2 0.881 110.7 50.7 -60.5 -37.0 52.3 -24.7 105.5 123 127 A E H X>S+ 0 0 22 -4,-2.4 4,-1.6 -5,-0.2 5,-1.4 0.890 109.4 51.1 -66.0 -44.9 48.8 -23.2 105.7 124 128 A Q H <5S+ 0 0 115 -4,-1.6 3,-0.2 -5,-0.3 -2,-0.2 0.934 114.6 43.0 -53.0 -51.8 47.6 -26.2 107.8 125 129 A L H <5S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.9 49.8 -65.6 -36.3 50.6 -25.7 110.2 126 130 A A H <5S- 0 0 12 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.772 101.7-133.3 -70.7 -25.3 50.1 -21.9 110.2 127 131 A G T <5S+ 0 0 59 -4,-1.6 2,-0.3 -3,-0.2 -3,-0.2 0.709 77.9 86.4 72.9 20.6 46.4 -22.2 110.9 128 132 A N S - 0 0 84 -2,-0.3 3,-2.2 1,-0.1 4,-0.1 -0.538 37.6-106.1 -80.5 158.5 45.3 -19.8 104.3 130 134 A R G > S+ 0 0 13 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.856 119.9 65.7 -49.0 -34.4 47.5 -17.6 102.1 131 135 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 64,-0.1 64,-0.2 0.660 104.7 44.2 -72.4 -10.7 44.4 -15.4 101.5 132 136 A N G < S+ 0 0 93 -3,-2.2 2,-0.5 62,-0.1 -1,-0.3 0.169 94.9 91.0-111.1 14.0 44.5 -14.4 105.2 133 137 A I S < S- 0 0 0 -3,-2.0 61,-0.1 -4,-0.1 2,-0.1 -0.950 73.8-132.5-115.1 109.9 48.3 -13.8 105.5 134 138 A E - 0 0 78 -2,-0.5 2,-0.3 61,-0.2 61,-0.3 -0.326 20.6-163.0 -57.9 135.8 49.5 -10.2 104.9 135 139 A L B +H 194 0D 0 59,-1.9 59,-2.0 4,-0.1 2,-0.3 -0.875 36.7 92.0-116.7 155.3 52.5 -9.7 102.6 136 140 A G S > S- 0 0 0 -2,-0.3 4,-2.1 57,-0.2 5,-0.2 -0.905 88.5 -58.3 147.3-175.8 54.6 -6.6 102.3 137 141 A N H > S+ 0 0 47 55,-0.3 4,-3.0 -2,-0.3 5,-0.2 0.885 131.0 50.9 -68.8 -34.9 57.9 -5.3 103.8 138 142 A G H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.954 111.7 47.6 -66.9 -50.7 56.6 -5.4 107.5 139 143 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.920 115.1 47.0 -54.5 -40.8 55.5 -9.0 107.1 140 144 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 110.6 50.2 -72.0 -45.9 58.9 -9.9 105.5 141 145 A E H X S+ 0 0 38 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.919 115.2 45.4 -51.5 -47.8 60.9 -8.0 108.2 142 146 A E H X S+ 0 0 103 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.843 109.7 54.7 -64.9 -40.0 58.9 -10.0 110.8 143 147 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.874 105.2 53.1 -65.8 -40.2 59.2 -13.3 109.0 144 148 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.925 109.9 47.9 -58.3 -44.1 63.0 -12.9 109.0 145 149 A S H X S+ 0 0 26 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.919 110.6 52.5 -63.2 -42.1 63.0 -12.4 112.8 146 150 A A H X S+ 0 0 10 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.912 111.5 44.5 -62.6 -42.8 60.7 -15.4 113.2 147 151 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.904 111.4 55.7 -65.6 -43.5 63.0 -17.7 111.2 148 152 A Y H 3< S+ 0 0 84 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.891 112.4 40.3 -53.5 -46.5 66.1 -16.3 113.0 149 153 A Y H ><>S+ 0 0 105 -4,-2.2 5,-1.5 1,-0.2 3,-0.8 0.429 86.7 95.9 -89.8 2.8 64.7 -17.1 116.6 150 154 A Y G X<5S+ 0 0 61 -3,-0.8 3,-1.5 -4,-0.6 -1,-0.2 0.917 80.1 56.3 -59.1 -41.8 63.2 -20.5 115.8 151 155 A S G 3 5S+ 0 0 54 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.770 107.4 48.2 -66.7 -23.3 66.3 -22.4 117.0 152 156 A T G < 5S- 0 0 109 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.354 120.1-100.8-102.6 8.5 66.2 -20.8 120.5 153 157 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.410 90.4 116.1 93.2 -0.4 62.6 -21.4 121.2 154 158 A G < + 0 0 59 -5,-1.5 2,-0.5 1,-0.1 -4,-0.2 0.636 64.8 64.2 -75.3 -17.8 61.3 -17.9 120.4 155 159 A T S S- 0 0 14 -6,-0.6 -2,-0.1 -5,-0.2 -1,-0.1 -0.926 72.6-142.9-117.7 123.8 59.1 -18.9 117.4 156 160 A Q > - 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