==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-96 1IFS . COMPND 2 MOLECULE: RICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR S.A.WESTON,A.D.TUCKER,D.R.THATCHER,D.J.DERBYSHIRE, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.0 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 1.2 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 1 0 1 0 0 0 0 1 2 1 0 0 1 0 0 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 . 3 1 0 1 2 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 6 A Y 0 0 93 0, 0.0 52,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 145.6 78.3 -21.6 96.0 2 7 A P - 0 0 44 0, 0.0 52,-3.4 0, 0.0 2,-0.4 -0.394 360.0-152.1 -64.9 143.5 77.4 -18.0 95.0 3 8 A I E -a 54 0A 82 50,-0.2 2,-0.4 52,-0.1 52,-0.2 -0.959 8.4-166.8-120.8 134.0 76.0 -15.8 97.8 4 9 A I E -a 55 0A 14 50,-2.2 52,-2.9 -2,-0.4 2,-0.4 -0.971 14.3-150.7-117.6 135.1 73.6 -12.9 97.2 5 10 A N E +a 56 0A 104 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.866 18.7 170.3-110.8 147.5 73.1 -10.5 100.1 6 11 A F E -a 57 0A 13 50,-2.1 52,-2.0 -2,-0.4 2,-0.4 -0.986 14.3-157.6-152.1 143.1 70.1 -8.4 100.9 7 12 A T E -a 58 0A 60 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.979 15.4-155.9-127.2 136.4 69.1 -6.4 103.9 8 13 A T S > S+ 0 0 1 50,-2.2 3,-1.8 -2,-0.4 2,-0.4 0.713 70.6 104.6 -76.4 -21.0 65.6 -5.4 105.0 9 14 A A T 3 S- 0 0 35 49,-0.3 -2,-0.1 1,-0.3 49,-0.0 -0.441 104.9 -11.6 -65.3 115.8 67.2 -2.4 106.8 10 15 A G T 3 S+ 0 0 77 -2,-0.4 -1,-0.3 1,-0.2 5,-0.1 0.728 93.1 173.6 66.6 20.8 66.5 0.7 104.7 11 16 A A < - 0 0 18 -3,-1.8 2,-0.3 4,-0.1 -1,-0.2 -0.285 9.1-171.1 -62.0 144.6 65.3 -1.5 101.8 12 17 A T > - 0 0 76 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.798 42.3-100.0-127.5 170.1 63.8 0.4 98.8 13 18 A V H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.902 126.5 52.1 -61.9 -29.0 62.0 -0.9 95.7 14 19 A Q H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.937 108.4 46.3 -72.6 -42.1 65.3 -0.4 94.0 15 20 A S H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 116.9 46.7 -66.5 -34.4 67.4 -2.4 96.5 16 21 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.904 111.7 50.4 -71.5 -40.8 64.7 -5.1 96.4 17 22 A T H X S+ 0 0 13 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.942 110.2 49.8 -61.9 -46.3 64.6 -5.1 92.6 18 23 A N H X S+ 0 0 70 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.906 110.6 52.0 -59.2 -40.6 68.3 -5.4 92.3 19 24 A F H X S+ 0 0 8 -4,-1.7 4,-2.0 -5,-0.2 3,-0.2 0.966 111.0 44.0 -60.7 -54.9 68.2 -8.3 94.7 20 25 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.858 112.7 54.1 -59.9 -36.2 65.6 -10.3 92.8 21 26 A R H X S+ 0 0 136 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.901 108.2 49.6 -65.1 -39.8 67.4 -9.5 89.6 22 27 A A H X S+ 0 0 44 -4,-2.1 4,-0.9 -3,-0.2 -2,-0.2 0.857 109.6 51.7 -68.2 -36.2 70.7 -10.9 91.0 23 28 A V H >X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-1.0 0.949 109.3 48.3 -65.4 -49.7 68.9 -14.1 92.2 24 29 A R H 3X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.865 108.4 57.0 -57.7 -38.8 67.4 -14.8 88.8 25 30 A G H 3< S+ 0 0 52 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.741 110.8 41.9 -65.0 -26.5 70.8 -14.2 87.3 26 31 A R H << S+ 0 0 141 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.763 111.6 55.6 -87.8 -35.2 72.3 -16.9 89.5 27 32 A L H < S+ 0 0 2 -4,-2.2 2,-0.4 -5,-0.1 -2,-0.2 0.871 106.2 53.3 -64.6 -43.7 69.4 -19.4 89.1 28 33 A T < - 0 0 28 -4,-2.1 12,-0.1 -5,-0.2 -1,-0.0 -0.785 58.1-159.2-106.2 145.8 69.5 -19.4 85.3 29 34 A T - 0 0 100 10,-0.4 -1,-0.1 -2,-0.4 11,-0.1 0.703 38.0-126.2 -88.1 -24.8 72.4 -20.2 82.9 30 35 A G S S+ 0 0 54 9,-0.3 3,-0.1 2,-0.2 10,-0.1 0.410 83.8 109.4 90.0 -0.1 70.9 -18.5 79.8 31 36 A A S S+ 0 0 91 1,-0.2 2,-0.4 8,-0.1 -3,-0.0 0.565 75.7 46.4 -83.2 -10.9 71.3 -21.7 77.8 32 37 A D + 0 0 30 7,-0.3 7,-3.0 2,-0.0 2,-0.4 -0.884 58.9 162.2-141.9 107.4 67.6 -22.4 77.7 33 38 A V E -F 38 0B 77 -2,-0.4 2,-0.6 5,-0.3 3,-0.1 -0.991 16.5-165.2-128.4 118.3 65.0 -19.9 76.9 34 39 A R E > S-F 37 0B 17 3,-3.4 3,-1.5 -2,-0.4 180,-0.0 -0.929 75.8 -21.0-108.2 110.6 61.5 -21.1 75.9 35 40 A H T 3 S- 0 0 76 -2,-0.6 -1,-0.2 1,-0.3 179,-0.0 0.857 129.7 -49.1 57.2 39.2 59.2 -18.4 74.2 36 41 A E T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.442 120.5 111.9 80.1 5.6 61.3 -15.6 75.7 37 42 A I E < -F 34 0B 1 -3,-1.5 -3,-3.4 212,-0.0 -1,-0.2 -0.923 67.4-126.6-114.0 124.9 61.1 -17.3 79.2 38 43 A P E -F 33 0B 36 0, 0.0 212,-1.8 0, 0.0 2,-0.4 -0.442 18.9-143.7 -69.2 145.3 64.2 -18.8 80.7 39 44 A V B -g 250 0C 2 -7,-3.0 -10,-0.4 210,-0.2 -9,-0.3 -0.855 17.3-118.5-110.5 141.4 64.1 -22.4 81.9 40 45 A L - 0 0 2 210,-3.2 32,-0.1 -2,-0.4 -12,-0.1 -0.377 46.4 -77.8 -74.7 158.6 65.9 -23.5 85.0 41 46 A P - 0 0 21 0, 0.0 211,-0.4 0, 0.0 2,-0.3 -0.179 49.0-108.6 -55.7 147.8 68.7 -26.2 84.8 42 47 A N - 0 0 55 2,-0.1 4,-0.2 1,-0.1 211,-0.1 -0.609 19.0-136.8 -78.1 136.8 67.6 -29.8 84.4 43 48 A R S > S+ 0 0 94 -2,-0.3 3,-1.0 209,-0.2 2,-0.7 0.795 82.6 88.6 -65.1 -28.0 68.2 -31.8 87.5 44 49 A V T 3 S+ 0 0 115 1,-0.2 -2,-0.1 3,-0.0 -1,-0.0 -0.615 104.1 4.4 -80.4 114.9 69.6 -34.7 85.5 45 50 A G T 3 S+ 0 0 78 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.391 91.0 138.5 96.9 -3.5 73.3 -34.4 84.9 46 51 A L < - 0 0 38 -3,-1.0 -1,-0.3 -4,-0.2 2,-0.2 -0.621 51.3-130.6 -78.1 123.8 73.7 -31.2 87.0 47 52 A P > - 0 0 53 0, 0.0 3,-2.6 0, 0.0 4,-0.1 -0.574 15.6-121.5 -73.1 143.7 76.9 -31.4 89.2 48 53 A I G > S+ 0 0 64 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.745 110.0 70.1 -56.5 -26.7 76.5 -30.6 92.9 49 54 A N G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.630 109.5 33.4 -68.2 -10.2 79.0 -27.8 92.5 50 55 A Q G < S+ 0 0 108 -3,-2.6 -1,-0.3 -49,-0.1 -2,-0.2 0.155 94.7 94.0-128.6 18.6 76.4 -26.0 90.5 51 56 A R S < S+ 0 0 17 -3,-1.4 20,-2.9 -4,-0.1 21,-0.4 0.741 82.4 39.5 -84.7 -24.4 73.3 -27.2 92.4 52 57 A F E - B 0 70A 4 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.862 49.0-165.4-132.3 159.5 72.8 -24.3 94.9 53 58 A I E - B 0 69A 3 16,-1.6 16,-2.6 -2,-0.3 2,-0.4 -0.958 22.6-136.4-133.9 149.5 73.0 -20.6 95.5 54 59 A L E -aB 3 68A 21 -52,-3.4 -50,-2.2 -2,-0.3 2,-0.5 -0.902 8.0-159.8-112.7 143.5 73.0 -18.9 99.0 55 60 A V E -aB 4 67A 0 12,-2.3 12,-2.8 -2,-0.4 2,-0.6 -0.973 8.0-159.0-124.0 109.9 71.0 -15.9 100.0 56 61 A E E -aB 5 66A 61 -52,-2.9 -50,-2.1 -2,-0.5 2,-0.4 -0.841 12.4-168.4 -94.1 117.8 72.3 -14.1 103.0 57 62 A L E +aB 6 65A 0 8,-3.1 8,-2.2 -2,-0.6 2,-0.3 -0.922 7.9 179.0-110.8 136.5 69.6 -11.9 104.6 58 63 A S E -aB 7 64A 34 -52,-2.0 -50,-2.2 -2,-0.4 -49,-0.3 -0.849 8.2-158.5-128.6 160.7 70.2 -9.3 107.3 59 64 A N > - 0 0 3 4,-1.4 3,-2.2 -2,-0.3 81,-0.0 -0.789 40.0 -89.3-133.4 177.1 67.8 -7.0 109.1 60 65 A H T 3 S+ 0 0 146 1,-0.3 80,-0.0 -2,-0.3 -53,-0.0 0.761 123.1 62.3 -57.9 -26.7 67.8 -3.8 111.1 61 66 A A T 3 S- 0 0 57 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.417 115.3-118.2 -80.5 3.8 68.4 -5.8 114.3 62 67 A E < + 0 0 162 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.628 67.3 142.1 68.1 17.5 71.7 -6.9 112.7 63 68 A L - 0 0 24 18,-0.0 -4,-1.4 2,-0.0 2,-0.4 -0.659 34.1-158.2 -88.1 145.4 70.7 -10.5 112.8 64 69 A S E +B 58 0A 35 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.961 15.0 176.0-127.6 147.9 71.8 -12.6 109.8 65 70 A V E -B 57 0A 1 -8,-2.2 -8,-3.1 -2,-0.4 2,-0.5 -0.971 18.0-144.4-146.5 145.4 70.5 -15.8 108.3 66 71 A T E -BC 56 80A 15 14,-2.5 14,-2.4 -2,-0.3 2,-0.3 -0.982 12.6-161.4-121.2 123.9 71.6 -17.7 105.1 67 72 A L E -BC 55 79A 0 -12,-2.8 -12,-2.3 -2,-0.5 2,-0.5 -0.772 10.0-141.8-102.1 146.7 69.0 -19.6 103.0 68 73 A A E -BC 54 78A 0 10,-2.8 9,-2.8 -2,-0.3 10,-0.9 -0.942 15.5-164.7-109.5 125.6 70.0 -22.3 100.5 69 74 A L E -BC 53 76A 0 -16,-2.6 -16,-1.6 -2,-0.5 2,-0.5 -0.903 19.4-128.5-109.9 139.7 68.0 -22.4 97.2 70 75 A D E >>> -BC 52 75A 6 5,-2.7 4,-2.1 -2,-0.4 3,-1.1 -0.784 15.3-143.4 -86.8 128.7 68.0 -25.3 94.9 71 76 A V T 345S+ 0 0 7 -20,-2.9 -1,-0.1 -2,-0.5 -19,-0.1 0.737 91.9 62.3 -64.7 -27.3 68.9 -24.2 91.4 72 77 A T T 345S+ 0 0 9 -21,-0.4 180,-0.5 1,-0.2 -1,-0.2 0.648 127.5 6.3 -76.9 -15.7 66.5 -26.6 89.5 73 78 A N T <45S- 0 0 39 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.354 93.8-115.9-146.7 0.9 63.3 -25.2 91.1 74 79 A A T <5 + 0 0 0 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.676 61.4 156.4 64.2 22.4 64.2 -22.1 93.1 75 80 A Y E < -C 70 0A 108 -5,-0.5 -5,-2.7 1,-0.1 2,-0.6 -0.528 48.9-122.9 -80.5 143.6 63.1 -23.9 96.3 76 81 A V E +C 69 0A 7 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.771 31.5 179.3 -82.9 117.7 64.5 -22.9 99.7 77 82 A V E - 0 0 23 -9,-2.8 11,-2.4 -2,-0.6 2,-0.3 0.671 56.0 -43.2 -95.0 -21.4 66.0 -26.2 101.0 78 83 A G E -CD 68 87A 1 -10,-0.9 -10,-2.8 9,-0.2 -1,-0.3 -0.970 54.2-126.2 174.5-177.9 67.2 -25.0 104.4 79 84 A Y E -CD 67 86A 0 7,-2.1 7,-2.5 -2,-0.3 2,-0.4 -0.954 6.5-134.0-149.4 171.0 69.1 -22.3 106.2 80 85 A R E +CD 66 85A 50 -14,-2.4 -14,-2.5 -2,-0.3 2,-0.4 -0.981 14.4 178.2-133.1 135.2 71.9 -21.4 108.5 81 86 A A E > - D 0 84A 0 3,-2.3 3,-1.5 -2,-0.4 -16,-0.1 -0.883 62.5 -68.0-138.8 99.3 71.9 -19.1 111.6 82 87 A G T 3 S+ 0 0 33 -2,-0.4 -1,-0.1 1,-0.3 -17,-0.0 -0.278 121.7 9.5 59.3-122.4 75.2 -18.9 113.3 83 88 A N T 3 S+ 0 0 60 23,-0.1 25,-1.7 -3,-0.1 24,-0.9 0.749 122.4 55.3 -58.6 -36.3 76.1 -22.3 114.9 84 89 A S E < -De 81 108A 2 -3,-1.5 -3,-2.3 23,-0.2 2,-0.4 -0.733 56.6-156.7-112.2 160.9 73.3 -24.4 113.4 85 90 A A E -De 80 109A 0 23,-2.9 25,-3.0 -2,-0.3 2,-0.4 -0.964 10.3-161.0-131.1 139.7 71.8 -25.5 110.0 86 91 A Y E -De 79 110A 14 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.4 -0.989 5.4-169.0-126.1 133.1 68.3 -26.7 109.5 87 92 A F E -De 78 111A 0 23,-2.1 25,-3.3 -2,-0.4 -9,-0.2 -0.932 23.8-120.2-123.7 141.5 67.1 -28.7 106.4 88 93 A F - 0 0 15 -11,-2.4 27,-0.3 -2,-0.4 25,-0.1 -0.439 53.7 -80.5 -70.3 157.3 63.5 -29.5 105.3 89 94 A H - 0 0 105 25,-2.7 27,-0.2 1,-0.1 -1,-0.1 -0.440 51.2-122.0 -60.9 121.4 62.9 -33.3 105.0 90 95 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.343 10.9-148.0 -65.5 142.9 64.3 -34.5 101.7 91 96 A D S S+ 0 0 134 1,-0.1 2,-0.3 -2,-0.0 3,-0.1 0.111 76.2 12.5-100.7 23.9 61.8 -36.1 99.4 92 97 A N S > S- 0 0 49 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.915 80.5-101.8 179.1 163.8 64.2 -38.6 97.8 93 98 A Q H > S+ 0 0 117 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.857 114.9 59.7 -70.0 -36.0 67.8 -39.9 98.1 94 99 A E H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 112.3 41.6 -56.4 -45.3 69.3 -37.7 95.4 95 100 A D H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.813 109.5 56.6 -70.8 -37.3 68.2 -34.7 97.4 96 101 A A H < S+ 0 0 38 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.910 112.6 43.6 -61.4 -39.6 69.1 -36.1 100.8 97 102 A E H >< S+ 0 0 91 -4,-2.5 3,-1.1 1,-0.2 4,-0.2 0.894 108.9 56.9 -72.0 -42.8 72.7 -36.6 99.4 98 103 A A H >< S+ 0 0 4 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.891 101.3 55.5 -57.4 -44.0 72.9 -33.2 97.7 99 104 A I G >< S+ 0 0 17 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.655 88.5 77.2 -67.8 -12.6 72.2 -31.2 100.9 100 105 A T G < S+ 0 0 67 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.668 89.0 61.3 -69.7 -11.5 75.1 -32.9 102.6 101 106 A H G < S+ 0 0 69 -3,-1.8 3,-0.4 -4,-0.2 2,-0.3 0.457 89.6 88.5 -92.1 -2.2 77.2 -30.5 100.5 102 107 A L S < S- 0 0 2 -3,-1.7 -17,-0.0 1,-0.2 -34,-0.0 -0.738 97.7 -3.1-101.2 146.8 75.7 -27.3 102.2 103 108 A F S > S+ 0 0 16 -2,-0.3 3,-1.2 1,-0.1 -1,-0.2 0.886 71.4 165.2 43.1 51.7 76.8 -25.5 105.3 104 109 A T T 3 + 0 0 103 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.772 66.8 62.7 -68.6 -20.6 79.5 -28.2 105.8 105 110 A D T 3 S+ 0 0 111 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.432 77.7 104.8 -85.2 -3.1 81.2 -25.8 108.3 106 111 A V < - 0 0 11 -3,-1.2 -22,-0.1 1,-0.1 3,-0.1 -0.559 63.8-143.2 -82.0 149.9 78.4 -25.6 110.9 107 112 A Q S S+ 0 0 123 -24,-0.9 2,-0.5 -2,-0.2 -23,-0.2 0.748 88.5 45.5 -81.4 -25.4 78.7 -27.5 114.2 108 113 A N E +e 84 0A 57 -25,-1.7 -23,-2.9 2,-0.0 2,-0.5 -0.956 64.0 180.0-127.9 114.2 75.0 -28.5 114.4 109 114 A R E +e 85 0A 89 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.959 7.8 179.8-115.4 123.8 73.1 -29.8 111.4 110 115 A Y E -e 86 0A 115 -25,-3.0 -23,-2.1 -2,-0.5 2,-0.5 -0.965 16.4-155.8-125.3 146.0 69.5 -30.7 111.8 111 116 A T E -e 87 0A 76 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.978 23.5-128.7-123.8 114.7 67.0 -32.0 109.3 112 117 A F - 0 0 18 -25,-3.3 -26,-0.0 -2,-0.5 0, 0.0 -0.154 10.3-130.4 -57.9 158.4 63.3 -31.3 110.0 113 118 A A S S+ 0 0 97 -24,-0.1 2,-0.3 -25,-0.1 -1,-0.1 0.469 90.5 63.5 -88.0 -5.5 60.8 -34.1 110.0 114 119 A F S S- 0 0 25 1,-0.0 -25,-2.7 2,-0.0 2,-0.1 -0.825 81.1-123.7-120.1 156.8 58.6 -32.1 107.7 115 120 A G - 0 0 17 -2,-0.3 -2,-0.1 -27,-0.3 -38,-0.0 -0.383 24.7-110.5 -90.2 178.5 59.1 -30.9 104.2 116 121 A G + 0 0 19 -27,-0.2 -40,-0.1 -2,-0.1 2,-0.1 0.180 68.1 124.5 -99.4 16.5 58.8 -27.3 102.9 117 122 A N S > S- 0 0 72 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.399 71.2-113.0 -71.6 156.3 55.7 -27.4 100.8 118 123 A Y H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.883 111.1 59.8 -59.3 -40.1 53.0 -24.8 101.6 119 124 A D H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.941 110.6 40.4 -53.7 -51.6 50.4 -27.3 102.8 120 125 A R H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 116.9 50.0 -61.5 -48.6 52.7 -28.7 105.6 121 126 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.843 108.9 50.7 -61.2 -38.0 53.9 -25.2 106.5 122 127 A E H X>S+ 0 0 12 -4,-3.0 4,-1.6 2,-0.2 5,-1.5 0.889 108.7 53.0 -69.1 -38.0 50.5 -23.7 106.7 123 128 A Q H <5S+ 0 0 122 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.932 113.1 43.8 -60.2 -47.8 49.4 -26.6 109.0 124 129 A L H <5S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 114.6 49.1 -65.8 -36.6 52.3 -25.9 111.3 125 130 A A H <5S- 0 0 15 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.713 101.8-134.0 -76.3 -23.1 51.8 -22.1 111.2 126 131 A G T <5S+ 0 0 60 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.800 76.3 79.6 72.6 28.6 48.1 -22.5 112.0 127 132 A N S - 0 0 81 -2,-0.3 3,-2.3 -3,-0.1 4,-0.4 -0.505 34.2-105.3 -91.9 163.3 47.0 -20.0 105.4 129 134 A R G > S+ 0 0 17 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.885 119.4 63.2 -52.2 -41.3 48.9 -17.9 102.9 130 135 A E G 3 S+ 0 0 76 1,-0.3 -1,-0.3 64,-0.2 64,-0.1 0.648 107.3 44.3 -60.7 -13.8 45.9 -15.7 102.4 131 136 A N G < S+ 0 0 93 -3,-2.3 2,-0.6 63,-0.1 -1,-0.3 0.400 92.1 89.7-112.0 -1.8 46.1 -14.7 106.1 132 137 A I S < S- 0 0 0 -3,-1.8 2,-0.1 -4,-0.4 61,-0.1 -0.891 75.0-130.1-104.1 116.9 49.9 -14.1 106.4 133 138 A E - 0 0 81 -2,-0.6 2,-0.3 61,-0.2 61,-0.3 -0.405 19.5-156.3 -67.4 139.5 50.9 -10.5 105.7 134 139 A L B +H 193 0D 0 59,-1.8 59,-2.0 -2,-0.1 2,-0.3 -0.827 37.9 94.1-115.2 151.6 53.8 -9.9 103.3 135 140 A G S > S- 0 0 0 -2,-0.3 4,-1.9 57,-0.2 5,-0.1 -0.877 84.6 -66.3 153.2 179.9 56.0 -6.8 103.2 136 141 A N H > S+ 0 0 24 55,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.881 128.3 53.8 -67.3 -36.0 59.4 -5.5 104.4 137 142 A G H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 109.3 46.8 -63.1 -50.7 58.2 -5.5 108.0 138 143 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.883 114.1 49.3 -60.8 -34.6 57.1 -9.1 107.9 139 144 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.912 107.2 53.5 -69.1 -44.0 60.4 -10.1 106.3 140 145 A E H X S+ 0 0 40 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.932 113.7 44.3 -54.2 -46.1 62.4 -8.1 108.9 141 146 A E H X S+ 0 0 107 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.883 108.3 57.3 -67.7 -39.5 60.6 -10.1 111.6 142 147 A A H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.875 102.4 55.3 -60.8 -38.9 61.0 -13.4 109.8 143 148 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.895 110.7 45.1 -61.8 -41.2 64.8 -13.1 109.7 144 149 A S H X S+ 0 0 23 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.887 112.4 50.2 -69.0 -43.9 64.8 -12.6 113.5 145 150 A A H X S+ 0 0 13 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.938 112.5 47.7 -59.9 -48.1 62.4 -15.5 114.1 146 151 A L H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 3,-0.4 0.906 114.0 48.7 -58.9 -42.3 64.5 -17.8 111.9 147 152 A Y H >< S+ 0 0 56 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.923 110.2 49.7 -64.5 -45.5 67.6 -16.6 113.7 148 153 A Y H ><>S+ 0 0 101 -4,-2.9 5,-2.4 1,-0.2 3,-1.3 0.597 90.4 78.4 -73.4 -10.7 66.2 -17.2 117.2 149 154 A Y H ><5S+ 0 0 64 -4,-1.0 3,-1.7 -3,-0.4 -1,-0.2 0.930 89.7 57.6 -62.3 -38.3 65.1 -20.6 116.4 150 155 A S T <<5S+ 0 0 19 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.552 109.0 45.9 -67.3 -9.9 68.8 -21.7 116.9 151 156 A T T < 5S- 0 0 80 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.230 119.8-103.5-115.6 9.7 68.6 -20.2 120.5 152 157 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.555 92.9 116.9 77.5 9.0 65.3 -21.8 121.5 153 158 A G < + 0 0 48 -5,-2.4 2,-0.4 -6,-0.1 -4,-0.3 0.708 55.3 71.0 -83.1 -21.6 63.7 -18.4 121.0 154 159 A T S S- 0 0 15 -6,-0.8 2,-0.2 -9,-0.1 -2,-0.1 -0.848 72.4-133.9-109.1 133.9 61.3 -19.2 118.2 155 160 A Q >> - 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