==== 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 HYDROLASE 18-SEP-07 2VC3 . COMPND 2 MOLECULE: RICIN A CHAIN; . 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) . 13040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 66.5 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 . 1 0.4 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 . 28 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 30.4 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 0 2 0 1 0 0 0 1 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 0 243 0, 0.0 3,-0.1 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 -30.1 80.8 -21.7 97.2 2 6 A Y - 0 0 29 1,-0.1 52,-0.2 52,-0.1 49,-0.1 -0.479 360.0 -84.5 -63.6 152.1 77.2 -21.6 95.8 3 7 A P - 0 0 39 0, 0.0 52,-2.9 0, 0.0 2,-0.4 -0.311 45.5-150.0 -61.6 141.2 76.3 -18.1 94.6 4 8 A I E -a 55 0A 88 50,-0.2 2,-0.4 -3,-0.1 52,-0.2 -0.953 11.3-169.6-116.7 132.5 75.0 -15.7 97.3 5 9 A I E -a 56 0A 13 50,-2.5 52,-2.4 -2,-0.4 2,-0.3 -0.990 14.6-148.7-118.2 130.0 72.5 -12.9 96.8 6 10 A N E +a 57 0A 98 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.774 20.3 167.4-101.1 140.5 71.9 -10.4 99.6 7 11 A F E -a 58 0A 13 50,-2.4 52,-2.3 -2,-0.3 2,-0.4 -0.985 12.0-163.9-143.0 144.9 68.8 -8.4 100.5 8 12 A T E -a 59 0A 54 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.989 21.0-153.6-126.6 143.0 67.8 -6.4 103.5 9 13 A T S > S+ 0 0 1 50,-2.1 3,-1.7 -2,-0.4 2,-0.5 0.650 70.5 108.0 -77.1 -17.2 64.4 -5.2 104.7 10 14 A A T 3 S- 0 0 35 1,-0.3 -2,-0.1 49,-0.3 49,-0.0 -0.517 104.6 -14.3 -66.1 113.2 66.2 -2.3 106.4 11 15 A G T 3 S- 0 0 74 -2,-0.5 -1,-0.3 1,-0.2 5,-0.1 0.728 93.3-179.0 62.9 27.3 65.3 0.8 104.4 12 16 A A < - 0 0 17 -3,-1.7 2,-0.3 4,-0.1 -1,-0.2 -0.236 3.4-175.2 -58.7 142.5 64.0 -1.4 101.5 13 17 A T > - 0 0 72 1,-0.1 4,-2.6 176,-0.0 5,-0.3 -0.867 42.6 -99.9-129.6 168.7 62.8 0.5 98.4 14 18 A V H > S+ 0 0 20 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.942 124.3 48.7 -52.6 -45.5 61.1 -0.5 95.2 15 19 A Q H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 109.4 49.1 -68.1 -43.1 64.6 -0.3 93.5 16 20 A S H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 115.2 45.2 -65.0 -36.7 66.5 -2.3 96.0 17 21 A Y H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.923 111.8 52.4 -69.0 -40.2 63.9 -5.1 95.9 18 22 A T H X S+ 0 0 5 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.916 109.5 49.5 -58.5 -46.5 63.8 -5.0 92.1 19 23 A N H X S+ 0 0 85 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.912 111.7 50.5 -58.8 -41.6 67.6 -5.3 92.0 20 24 A F H X S+ 0 0 6 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.947 111.5 44.4 -63.3 -52.4 67.4 -8.3 94.4 21 25 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.905 112.2 53.4 -63.4 -40.0 64.7 -10.2 92.4 22 26 A R H X S+ 0 0 152 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.919 110.9 48.0 -58.0 -43.1 66.6 -9.5 89.1 23 27 A A H X S+ 0 0 40 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.892 109.2 51.9 -64.5 -43.7 69.8 -11.0 90.7 24 28 A V H >X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 3,-0.6 0.937 110.4 48.3 -58.0 -50.1 67.9 -14.0 92.0 25 29 A R H 3X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.913 108.3 56.3 -55.9 -41.9 66.5 -14.7 88.5 26 30 A G H 3< S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.769 111.9 41.2 -60.5 -31.5 70.0 -14.3 87.1 27 31 A R H << S+ 0 0 146 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.678 113.3 54.1 -90.5 -22.3 71.4 -17.0 89.4 28 32 A L H < S+ 0 0 3 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.910 114.6 33.5 -72.6 -44.8 68.4 -19.3 89.0 29 33 A T < - 0 0 22 -4,-2.2 -1,-0.1 12,-0.1 12,-0.1 -0.880 60.5-156.0-121.2 149.5 68.5 -19.5 85.1 30 34 A T - 0 0 111 -2,-0.3 11,-0.1 10,-0.3 -1,-0.1 0.503 42.4-111.8-100.2 -12.5 71.4 -19.4 82.7 31 35 A G S S+ 0 0 54 9,-0.3 3,-0.1 2,-0.2 10,-0.1 0.395 87.8 112.8 88.5 -5.8 69.8 -18.2 79.4 32 36 A A S S+ 0 0 93 1,-0.2 2,-0.6 8,-0.1 -3,-0.0 0.946 75.3 46.0 -59.5 -39.1 70.3 -21.5 77.7 33 37 A D + 0 0 33 7,-0.4 7,-2.7 2,-0.0 2,-0.4 -0.894 58.4 156.6-128.9 110.0 66.6 -22.2 77.5 34 38 A V E -F 39 0B 77 -2,-0.6 2,-0.5 5,-0.3 216,-0.0 -0.997 15.4-170.0-133.8 127.0 63.9 -19.7 76.5 35 39 A R E > S-F 38 0B 15 3,-2.6 3,-2.2 -2,-0.4 180,-0.1 -0.992 78.1 -15.9-121.5 122.9 60.4 -20.9 75.1 36 40 A H T 3 S- 0 0 79 -2,-0.5 -1,-0.1 1,-0.3 179,-0.0 0.877 129.6 -52.5 48.3 42.5 58.2 -18.2 73.6 37 41 A E T 3 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.338 117.3 112.5 79.5 -3.2 60.3 -15.4 75.2 38 42 A I E < -F 35 0B 3 -3,-2.2 -3,-2.6 212,-0.0 -1,-0.2 -0.890 65.4-127.0-109.3 121.0 60.0 -17.0 78.7 39 43 A P E -F 34 0B 38 0, 0.0 212,-1.8 0, 0.0 2,-0.4 -0.289 17.4-145.1 -61.8 148.9 63.1 -18.5 80.4 40 44 A V B -g 251 0C 5 -7,-2.7 -7,-0.4 210,-0.2 -10,-0.3 -0.907 16.9-118.1-115.2 140.4 63.2 -22.1 81.8 41 45 A L - 0 0 0 210,-3.1 32,-0.1 -2,-0.4 -12,-0.1 -0.292 50.0 -79.3 -65.8 156.3 65.0 -23.3 84.9 42 46 A P - 0 0 30 0, 0.0 211,-0.3 0, 0.0 2,-0.2 -0.323 49.7-105.0 -60.4 145.8 67.7 -25.9 84.4 43 47 A N - 0 0 56 1,-0.1 4,-0.1 2,-0.1 30,-0.0 -0.544 19.6-141.1 -66.1 133.5 66.6 -29.5 84.0 44 48 A R S > S+ 0 0 80 -2,-0.2 3,-1.8 209,-0.2 2,-0.4 0.804 76.3 98.9 -63.6 -30.7 67.2 -31.5 87.2 45 49 A V T 3 S- 0 0 119 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 -0.458 104.6 -6.2 -69.9 117.1 68.3 -34.6 85.0 46 50 A G T 3 S+ 0 0 76 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.444 91.1 151.7 81.6 4.7 72.1 -34.7 84.9 47 51 A L < - 0 0 34 -3,-1.8 -1,-0.3 -4,-0.1 5,-0.1 -0.524 48.4-120.5 -73.3 119.6 72.5 -31.3 86.7 48 52 A P > - 0 0 62 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.268 14.8-123.2 -60.9 145.4 75.8 -31.4 88.5 49 53 A I G > S+ 0 0 57 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.822 109.8 64.3 -59.7 -30.1 75.6 -30.9 92.3 50 54 A N G 3 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.610 108.1 42.1 -69.5 -8.2 77.9 -27.9 92.2 51 55 A Q G < S+ 0 0 109 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.192 91.2 92.9-114.3 9.7 75.2 -26.1 90.1 52 56 A R S < S+ 0 0 19 -3,-1.6 20,-2.5 -4,-0.1 21,-0.4 0.723 80.9 34.7 -85.1 -26.9 72.2 -27.2 92.1 53 57 A F E - B 0 71A 4 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.884 49.7-161.5-131.1 158.9 71.6 -24.4 94.6 54 58 A I E - B 0 70A 2 16,-2.1 16,-2.8 -2,-0.3 2,-0.4 -0.929 20.6-133.6-130.1 160.2 71.8 -20.7 95.3 55 59 A L E -aB 4 69A 20 -52,-2.9 -50,-2.5 -2,-0.3 2,-0.6 -0.942 8.4-161.1-120.5 135.0 71.8 -18.9 98.6 56 60 A V E -aB 5 68A 0 12,-2.7 12,-2.9 -2,-0.4 2,-0.7 -0.963 9.3-157.4-114.1 111.3 69.8 -15.8 99.6 57 61 A E E -aB 6 67A 52 -52,-2.4 -50,-2.4 -2,-0.6 2,-0.5 -0.823 12.2-165.9 -94.7 116.6 71.2 -14.0 102.6 58 62 A L E +aB 7 66A 0 8,-3.1 8,-2.2 -2,-0.7 2,-0.3 -0.863 8.4 179.3-105.7 130.5 68.4 -11.9 104.3 59 63 A S E -aB 8 65A 31 -52,-2.3 -50,-2.1 -2,-0.5 -49,-0.3 -0.843 7.1-160.6-121.4 162.6 69.1 -9.2 106.8 60 64 A N > - 0 0 3 4,-1.6 3,-2.0 -2,-0.3 4,-0.1 -0.818 38.5 -95.7-136.7 175.9 66.7 -6.9 108.7 61 65 A H T 3 S+ 0 0 145 1,-0.3 -1,-0.0 -2,-0.3 80,-0.0 0.798 119.1 67.8 -63.3 -25.7 66.6 -3.6 110.6 62 66 A A T 3 S- 0 0 51 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.432 116.4-115.7 -71.9 1.3 67.0 -5.7 113.8 63 67 A E S < S+ 0 0 169 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.787 72.9 133.1 68.8 30.1 70.5 -6.5 112.6 64 68 A L - 0 0 16 -4,-0.1 -4,-1.6 2,-0.0 2,-0.4 -0.845 36.4-164.2-107.4 150.9 69.7 -10.2 112.3 65 69 A S E +B 59 0A 39 -2,-0.3 2,-0.3 -6,-0.2 18,-0.3 -0.988 11.8 177.5-134.3 147.0 70.5 -12.4 109.3 66 70 A V E -B 58 0A 1 -8,-2.2 -8,-3.1 -2,-0.4 2,-0.5 -0.968 21.0-138.3-135.9 155.8 69.4 -15.8 107.9 67 71 A T E -BC 57 81A 7 14,-2.7 14,-2.4 -2,-0.3 2,-0.3 -0.960 13.2-159.0-118.4 117.4 70.4 -17.6 104.7 68 72 A L E -BC 56 80A 0 -12,-2.9 -12,-2.7 -2,-0.5 2,-0.5 -0.719 9.4-143.5 -87.6 146.4 67.8 -19.4 102.6 69 73 A A E -BC 55 79A 0 10,-2.5 9,-2.6 -2,-0.3 10,-0.9 -0.952 16.2-164.7-107.8 130.0 68.9 -22.2 100.2 70 74 A L E -BC 54 77A 0 -16,-2.8 -16,-2.1 -2,-0.5 2,-0.5 -0.953 19.1-130.0-115.5 139.7 66.9 -22.4 96.9 71 75 A D E >> -B 53 0A 5 5,-2.3 4,-2.2 -2,-0.4 3,-1.1 -0.733 14.2-147.0 -81.9 124.6 67.0 -25.3 94.5 72 76 A V T 34 S+ 0 0 5 -20,-2.5 -1,-0.1 -2,-0.5 -19,-0.1 0.703 91.5 66.6 -68.1 -19.8 67.7 -23.9 91.0 73 77 A T T 34 S+ 0 0 10 -21,-0.4 180,-0.5 1,-0.2 -1,-0.2 0.747 126.8 2.5 -77.3 -20.3 65.5 -26.6 89.3 74 78 A N T <4 S- 0 0 33 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.371 92.1-116.6-145.9 6.0 62.2 -25.3 90.8 75 79 A A < + 0 0 0 -4,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.566 61.2 155.7 61.6 14.8 63.1 -22.1 92.8 76 80 A Y - 0 0 103 -5,-0.5 -5,-2.3 1,-0.1 2,-0.7 -0.451 50.2-123.4 -72.3 140.5 62.0 -23.9 96.0 77 81 A V E +C 70 0A 6 -7,-0.2 -7,-0.2 40,-0.2 3,-0.1 -0.759 32.8 179.2 -71.5 116.3 63.3 -22.8 99.4 78 82 A V E - 0 0 23 -9,-2.6 11,-2.1 -2,-0.7 2,-0.3 0.577 55.5 -40.2 -97.6 -13.3 64.7 -26.1 100.7 79 83 A G E -CD 69 88A 1 -10,-0.9 -10,-2.5 9,-0.3 2,-0.3 -0.975 54.9-128.9 171.5-178.8 66.1 -25.0 104.1 80 84 A Y E -CD 68 87A 1 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.986 5.6-136.5-154.8 161.5 67.9 -22.2 105.9 81 85 A R E +CD 67 86A 74 -14,-2.4 -14,-2.7 -2,-0.3 2,-0.4 -0.970 14.1 178.5-122.0 137.3 70.8 -21.4 108.2 82 86 A A E > - D 0 85A 7 3,-2.7 3,-1.7 -2,-0.4 -16,-0.1 -0.928 65.3 -57.2-133.9 111.0 70.8 -19.1 111.2 83 87 A G T 3 S- 0 0 36 -2,-0.4 -1,-0.0 -18,-0.3 65,-0.0 -0.337 122.8 -6.4 61.7-124.0 74.1 -18.9 113.0 84 88 A N T 3 S+ 0 0 111 23,-0.1 25,-1.7 -2,-0.1 2,-0.4 0.173 123.2 72.6 -93.6 17.1 75.2 -22.4 114.1 85 89 A S E < -De 82 109A 11 -3,-1.7 -3,-2.7 23,-0.2 2,-0.3 -0.984 54.1-171.7-133.5 143.1 72.0 -24.2 113.1 86 90 A A E -De 81 110A 0 23,-2.5 25,-2.3 -2,-0.4 2,-0.4 -0.984 5.0-163.1-131.4 146.9 70.5 -25.2 109.8 87 91 A Y E -De 80 111A 15 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.993 3.6-166.7-132.0 134.9 67.0 -26.7 109.0 88 92 A F E -De 79 112A 2 23,-1.8 25,-3.1 -2,-0.4 -9,-0.3 -0.957 24.7-115.2-123.4 140.2 65.8 -28.5 105.9 89 93 A F - 0 0 14 -11,-2.1 27,-0.2 -2,-0.4 25,-0.1 -0.315 53.9 -80.9 -61.9 152.7 62.4 -29.4 104.7 90 94 A H - 0 0 101 25,-2.6 27,-0.3 1,-0.1 -1,-0.1 -0.399 55.4-116.7 -58.8 122.1 61.7 -33.1 104.5 91 95 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.322 7.5-139.9 -65.1 145.6 63.2 -34.3 101.2 92 96 A D S S- 0 0 138 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.712 80.6 -4.0 -71.7 -26.4 60.9 -35.8 98.4 93 97 A N S > S- 0 0 66 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.947 79.9 -89.0-160.7 173.2 63.3 -38.5 97.5 94 98 A Q H > S+ 0 0 160 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.869 119.9 55.8 -63.1 -38.9 66.8 -40.0 98.2 95 99 A E H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 109.7 46.6 -61.9 -40.6 68.5 -37.9 95.5 96 100 A D H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.3 54.7 -68.4 -37.1 67.2 -34.7 97.2 97 101 A A H X S+ 0 0 30 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.889 111.4 44.5 -62.9 -38.8 68.3 -35.9 100.6 98 102 A E H >< S+ 0 0 102 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.929 109.3 57.5 -69.4 -41.0 71.8 -36.4 99.3 99 103 A A H >< S+ 0 0 3 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.889 100.3 55.8 -58.4 -43.0 71.8 -33.1 97.5 100 104 A I H >< S+ 0 0 17 -4,-2.1 3,-1.7 1,-0.3 -1,-0.3 0.705 89.4 75.0 -70.7 -14.4 71.1 -31.1 100.7 101 105 A T T << S+ 0 0 77 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.637 88.8 63.4 -65.3 -11.9 74.1 -32.6 102.4 102 106 A H T < S+ 0 0 68 -3,-2.0 2,-0.4 -4,-0.3 3,-0.3 0.418 89.4 87.2 -91.6 0.5 76.1 -30.2 100.2 103 107 A L S < S- 0 0 1 -3,-1.7 -34,-0.0 1,-0.2 -3,-0.0 -0.824 100.7 -4.9-103.8 142.6 74.5 -27.1 101.8 104 108 A F S > S+ 0 0 23 -2,-0.4 3,-1.4 1,-0.1 -1,-0.2 0.903 76.7 175.7 50.7 48.9 75.8 -25.3 105.0 105 109 A T T 3 + 0 0 104 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.713 69.2 46.0 -69.8 -22.1 78.4 -28.0 105.3 106 110 A D T 3 S+ 0 0 143 3,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.436 79.2 123.7 -97.9 2.1 80.3 -26.5 108.3 107 111 A V < - 0 0 15 -3,-1.4 3,-0.1 1,-0.1 -23,-0.1 -0.331 58.7-141.0 -60.3 139.5 77.2 -25.7 110.4 108 112 A Q S S+ 0 0 161 1,-0.2 2,-0.5 -24,-0.1 -23,-0.2 0.861 85.4 41.2 -75.5 -33.3 77.5 -27.4 113.8 109 113 A N E -e 85 0A 66 -25,-1.7 -23,-2.5 2,-0.0 2,-0.4 -0.960 67.9-177.2-123.4 111.2 73.8 -28.4 114.2 110 114 A R E -e 86 0A 95 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.927 5.1-179.8-111.1 131.9 71.9 -29.8 111.2 111 115 A Y E -e 87 0A 107 -25,-2.3 -23,-1.8 -2,-0.4 2,-0.5 -0.980 18.1-154.7-130.6 143.2 68.2 -30.7 111.3 112 116 A T E -e 88 0A 80 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.1 -0.980 22.4-134.1-113.1 123.2 65.8 -32.1 108.9 113 117 A F - 0 0 17 -25,-3.1 -26,-0.0 -2,-0.5 -2,-0.0 -0.419 9.8-133.7 -67.2 151.2 62.1 -31.3 109.5 114 118 A A S S+ 0 0 94 -24,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.665 86.6 69.6 -80.2 -10.2 59.6 -34.2 109.2 115 119 A F S S- 0 0 35 1,-0.1 -25,-2.6 6,-0.0 -2,-0.1 -0.692 83.0-117.5-111.3 156.3 57.3 -32.1 107.2 116 120 A G - 0 0 15 -2,-0.3 -1,-0.1 -27,-0.2 -2,-0.1 -0.367 20.5-120.8 -86.8 167.3 57.7 -30.7 103.6 117 121 A G + 0 0 16 -27,-0.3 -40,-0.2 -2,-0.1 2,-0.1 -0.006 65.3 129.0-103.1 33.5 57.8 -27.1 102.6 118 122 A N S > S- 0 0 71 1,-0.1 4,-2.5 -42,-0.1 5,-0.2 -0.455 70.7-110.4 -81.8 157.2 54.8 -27.0 100.3 119 123 A Y H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 114.3 52.8 -54.8 -46.0 52.0 -24.4 100.7 120 124 A D H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 113.2 43.1 -58.5 -48.3 49.3 -26.9 102.0 121 125 A R H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 114.4 49.8 -65.7 -44.3 51.6 -28.3 104.7 122 126 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.877 110.2 50.8 -64.3 -38.6 52.9 -24.9 105.8 123 127 A E H X>S+ 0 0 17 -4,-2.8 4,-1.4 -5,-0.2 5,-1.2 0.907 109.1 51.7 -63.2 -41.1 49.3 -23.5 106.0 124 128 A Q H <5S+ 0 0 113 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.944 114.0 43.5 -59.4 -46.4 48.2 -26.4 108.1 125 129 A L H <5S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.864 114.0 50.0 -66.5 -38.6 51.1 -25.8 110.5 126 130 A A H <5S- 0 0 10 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.677 101.9-132.8 -67.3 -26.7 50.6 -22.0 110.5 127 131 A G T <5S+ 0 0 61 -4,-1.4 2,-0.3 -3,-0.4 -3,-0.2 0.702 78.0 84.7 71.0 23.9 46.9 -22.4 111.3 128 132 A N S - 0 0 86 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.453 36.5-105.7 -78.0 158.2 45.8 -19.9 104.7 130 134 A R G > S+ 0 0 7 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.837 118.9 66.6 -49.6 -36.6 47.9 -17.7 102.5 131 135 A E G 3 S+ 0 0 82 1,-0.3 -1,-0.3 64,-0.1 64,-0.2 0.649 105.9 43.0 -65.9 -12.1 44.7 -15.5 102.0 132 136 A N G < S+ 0 0 104 -3,-2.1 2,-0.5 62,-0.1 -1,-0.3 0.123 93.5 90.5-117.4 16.4 45.0 -14.5 105.6 133 137 A I S < S- 0 0 0 -3,-1.8 61,-0.1 63,-0.1 2,-0.1 -0.961 73.9-131.4-116.7 116.4 48.8 -13.9 106.0 134 138 A E - 0 0 81 -2,-0.5 2,-0.3 61,-0.2 61,-0.3 -0.378 19.9-159.5 -67.8 141.3 49.9 -10.4 105.3 135 139 A L B +H 194 0D 0 59,-2.1 59,-2.0 -2,-0.1 2,-0.3 -0.862 37.2 90.4-117.0 156.3 52.9 -9.8 103.0 136 140 A G S > S- 0 0 0 -2,-0.3 4,-2.2 57,-0.2 5,-0.2 -0.895 87.7 -58.0 146.2-177.5 55.1 -6.7 102.7 137 141 A N H > S+ 0 0 25 55,-0.3 4,-2.8 -2,-0.3 5,-0.2 0.897 130.9 51.7 -64.9 -38.5 58.3 -5.3 104.1 138 142 A G H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.954 110.4 47.9 -64.9 -52.3 57.0 -5.5 107.7 139 143 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.899 113.9 47.3 -51.5 -42.5 56.0 -9.1 107.4 140 144 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 110.0 52.0 -69.6 -42.3 59.4 -10.0 105.8 141 145 A E H X S+ 0 0 37 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.938 114.4 44.5 -52.2 -49.1 61.3 -8.1 108.6 142 146 A E H X S+ 0 0 97 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.846 110.0 55.0 -64.7 -38.3 59.3 -10.1 111.2 143 147 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.885 105.2 52.9 -64.4 -40.4 59.8 -13.4 109.3 144 148 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.948 110.3 47.5 -63.1 -47.7 63.6 -13.0 109.3 145 149 A S H X S+ 0 0 26 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.909 111.4 51.2 -57.3 -42.0 63.6 -12.4 113.1 146 150 A A H X S+ 0 0 11 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.919 111.6 46.2 -67.2 -43.4 61.3 -15.5 113.6 147 151 A L H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.926 111.6 53.8 -58.9 -41.4 63.5 -17.8 111.6 148 152 A Y H 3< S+ 0 0 86 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.888 111.5 43.9 -63.8 -40.0 66.6 -16.4 113.4 149 153 A Y H ><>S+ 0 0 106 -4,-2.2 5,-1.5 1,-0.2 3,-1.0 0.464 85.7 96.0 -88.8 3.3 65.2 -17.2 116.9 150 154 A Y G X<5S+ 0 0 60 -3,-1.0 3,-1.7 -4,-0.6 5,-0.2 0.913 79.2 54.3 -61.0 -44.3 63.9 -20.7 116.1 151 155 A S G 3 5S+ 0 0 56 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.708 107.8 50.9 -66.9 -19.0 66.9 -22.6 117.4 152 156 A T G < 5S- 0 0 110 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.370 118.3-104.1-102.7 6.4 66.7 -20.9 120.8 153 157 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.422 88.8 115.2 90.5 2.2 63.0 -21.5 121.5 154 158 A G < + 0 0 61 -5,-1.5 2,-0.6 1,-0.1 -4,-0.2 0.637 63.4 66.9 -78.7 -14.5 61.7 -18.1 120.8 155 159 A T S S- 0 0 14 -6,-0.5 -2,-0.1 -5,-0.2 -1,-0.1 -0.931 73.5-142.3-117.6 118.6 59.6 -19.0 117.8 156 160 A Q > - 0 0 147 -2,-0.6 4,-2.2 1,-0.1 3,-0.2 -0.342 29.8-110.1 -70.5 154.8 56.5 -21.2 118.0 157 161 A L H > S+ 0 0 63 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.896 116.5 53.7 -56.2 -43.2 56.0 -23.7 115.1 158 162 A P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.927 111.1 47.2 -61.1 -37.1 52.9 -21.9 113.7 159 163 A T H > S+ 0 0 61 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.861 110.7 52.7 -67.7 -35.1 54.9 -18.6 113.5 160 164 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.962 111.1 46.2 -64.1 -48.1 57.8 -20.5 111.9 161 165 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.926 111.9 50.8 -60.3 -43.4 55.5 -21.9 109.3 162 166 A R H X S+ 0 0 79 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.898 108.8 53.2 -56.1 -42.5 53.9 -18.4 108.7 163 167 A S H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.889 107.8 49.2 -66.5 -42.2 57.4 -17.0 108.3 164 168 A F H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.917 108.3 54.5 -58.8 -45.5 58.3 -19.6 105.6 165 169 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.900 110.1 47.0 -56.4 -42.0 55.1 -18.8 103.8 166 170 A I H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.958 114.4 46.1 -63.1 -49.7 56.1 -15.1 103.7 167 171 A C H X>S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 5,-0.6 0.917 111.1 52.0 -62.1 -43.9 59.6 -15.8 102.5 168 172 A I H X>S+ 0 0 12 -4,-3.2 5,-2.3 1,-0.2 4,-0.6 0.927 114.8 40.9 -61.4 -44.8 58.6 -18.2 99.8 169 173 A Q H <>S+ 0 0 0 -4,-1.9 5,-1.0 -5,-0.3 -1,-0.2 0.914 116.6 48.1 -70.9 -40.3 56.0 -15.8 98.3 170 174 A M H <5S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.662 130.3 18.9 -76.1 -16.7 58.2 -12.7 98.6 171 175 A I H X5S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -3,-0.2 0.738 131.7 32.8-115.3 -65.7 61.3 -14.4 97.1 172 176 A S H X S+ 0 0 62 -2,-0.5 4,-2.6 1,-0.2 70,-0.2 0.849 100.9 60.7 -52.3 -33.7 56.8 -10.5 87.3 179 183 A Y H > S+ 0 0 55 68,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.902 106.4 42.9 -64.0 -42.0 53.2 -10.0 88.4 180 184 A I H > S+ 0 0 0 -3,-0.4 4,-2.1 67,-0.4 -6,-0.2 0.928 111.2 53.8 -71.9 -41.3 53.9 -11.1 91.9 181 185 A E H X S+ 0 0 9 -4,-2.4 4,-2.5 -7,-0.5 -2,-0.2 0.916 108.8 52.7 -50.3 -45.7 57.2 -9.1 92.1 182 186 A G H X S+ 0 0 28 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.912 105.9 51.9 -61.4 -39.6 55.0 -6.1 91.0 183 187 A E H X S+ 0 0 15 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.848 112.0 46.2 -64.0 -36.8 52.5 -6.7 93.9 184 188 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.866 109.0 55.1 -75.7 -34.4 55.4 -6.8 96.4 185 189 A R H X S+ 0 0 79 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.917 107.1 51.4 -60.7 -45.4 57.0 -3.6 94.9 186 190 A T H X S+ 0 0 70 -4,-2.4 4,-1.9 1,-0.2 6,-0.2 0.934 107.9 51.4 -58.1 -41.0 53.6 -1.8 95.4 187 191 A R H X>S+ 0 0 17 -4,-1.6 5,-2.0 1,-0.2 4,-0.6 0.903 113.6 45.1 -62.9 -38.6 53.5 -2.9 99.1 188 192 A I H ><5S+ 0 0 16 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.946 108.9 55.1 -71.0 -42.5 57.0 -1.5 99.5 189 193 A R H 3<5S+ 0 0 129 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 121.9 29.1 -59.5 -36.1 56.3 1.7 97.7 190 194 A Y H 3<5S- 0 0 151 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.400 104.7-126.8-105.0 5.9 53.3 2.5 100.0 191 195 A N T <<5 + 0 0 112 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.915 60.6 144.6 39.3 55.0 54.7 0.6 103.1 192 196 A R < - 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0 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.197 49.7-105.4 -52.5 154.3 62.3 -28.6 66.9 260 264 A S + 0 0 106 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 0.889 47.5 179.7 -51.2 -47.5 62.1 -25.0 65.7 261 265 A S + 0 0 96 1,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.863 8.9 177.8 45.5 51.8 60.0 -26.1 62.8 262 266 A Q 0 0 168 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.489 360.0 360.0 -77.8 153.9 59.6 -22.6 61.3 263 267 A F 0 0 275 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.903 360.0 360.0 -66.1 360.0 57.7 -22.2 58.0