==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 23-APR-12 4ESI . COMPND 2 MOLECULE: RICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR K.R.JASHEWAY,J.M.PRUET,S.RYOTO,L.A.MANZANO,P.A.WIGET,I.KAMAT . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 12.6 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 30.3 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 0 0 1 1 0 0 0 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 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 0 193 0, 0.0 49,-0.0 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0 152.7 -23.0 -13.1 -10.0 2 6 A Y - 0 0 14 1,-0.1 52,-0.1 52,-0.1 49,-0.1 -0.179 360.0-108.1 -64.3 138.7 -21.8 -9.4 -10.3 3 7 A P - 0 0 43 0, 0.0 52,-3.4 0, 0.0 2,-0.5 -0.193 29.6-150.0 -65.2 144.8 -18.2 -8.5 -11.3 4 8 A I E -a 55 0A 77 50,-0.2 2,-0.5 52,-0.1 52,-0.2 -0.969 7.8-163.8-116.7 128.1 -15.9 -7.0 -8.6 5 9 A I E -a 56 0A 14 50,-3.3 52,-2.1 -2,-0.5 2,-0.3 -0.959 15.4-149.9-103.7 131.5 -13.1 -4.6 -9.2 6 10 A N E +a 57 0A 102 -2,-0.5 2,-0.3 50,-0.2 52,-0.2 -0.753 20.3 168.9 -94.5 142.4 -10.6 -4.3 -6.3 7 11 A F E -a 58 0A 12 50,-2.2 52,-2.3 -2,-0.3 2,-0.4 -0.957 13.2-161.0-145.6 140.0 -8.6 -1.1 -5.5 8 12 A T E -a 59 0A 50 -2,-0.3 4,-0.3 50,-0.2 52,-0.2 -0.980 20.8-156.4-122.3 138.4 -6.5 -0.2 -2.5 9 13 A T S > S+ 0 0 2 50,-2.5 3,-0.8 -2,-0.4 51,-0.2 0.744 88.9 76.7 -72.8 -18.4 -5.4 3.2 -1.2 10 14 A A T 3 S+ 0 0 52 49,-0.3 -1,-0.1 1,-0.3 50,-0.1 0.988 105.3 27.2 -58.7 -62.9 -2.5 1.3 0.6 11 15 A G T 3 S+ 0 0 54 2,-0.0 -1,-0.3 5,-0.0 -2,-0.1 0.685 91.0 165.2 -57.4 -11.4 -0.3 0.7 -2.4 12 16 A A < + 0 0 19 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.1 0.317 4.5 149.3 -61.8 130.0 -1.5 3.6 -4.3 13 17 A T > - 0 0 72 1,-0.1 4,-2.3 0, 0.0 5,-0.3 -0.824 61.0-102.2-127.5 172.4 0.4 4.8 -7.4 14 18 A V H > S+ 0 0 29 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.957 123.9 53.6 -60.1 -38.1 -0.8 6.6 -10.6 15 19 A Q H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 109.0 44.4 -57.4 -48.8 -0.4 3.1 -12.3 16 20 A S H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 115.4 48.1 -71.8 -33.8 -2.5 1.2 -9.8 17 21 A Y H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.911 111.9 49.7 -70.2 -42.2 -5.2 3.8 -9.8 18 22 A T H X S+ 0 0 7 -4,-3.0 4,-3.1 -5,-0.3 5,-0.3 0.914 110.6 50.2 -54.9 -46.4 -5.2 4.0 -13.7 19 23 A N H X S+ 0 0 91 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.929 112.3 50.0 -61.5 -40.5 -5.5 0.1 -13.8 20 24 A F H X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.964 112.8 43.0 -61.3 -55.4 -8.4 0.5 -11.4 21 25 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.898 112.7 53.9 -60.7 -41.4 -10.3 3.1 -13.4 22 26 A R H X S+ 0 0 151 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.942 108.1 48.9 -63.9 -36.4 -9.7 1.3 -16.6 23 27 A A H X S+ 0 0 43 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.854 108.5 54.1 -72.3 -29.8 -11.1 -1.9 -15.3 24 28 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 3,-0.3 0.935 109.9 46.6 -65.8 -44.7 -14.2 -0.1 -13.9 25 29 A R H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 3,-0.2 0.916 109.0 57.7 -58.7 -42.6 -14.9 1.4 -17.4 26 30 A G H < S+ 0 0 51 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.816 111.5 39.3 -61.1 -34.9 -14.3 -2.0 -18.8 27 31 A R H < S+ 0 0 149 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.644 114.0 55.7 -88.5 -18.5 -17.1 -3.5 -16.7 28 32 A L H < S+ 0 0 1 -4,-1.5 2,-0.3 -3,-0.2 -2,-0.2 0.896 110.8 41.2 -77.9 -42.8 -19.4 -0.5 -17.1 29 33 A T < - 0 0 22 -4,-2.6 12,-0.1 12,-0.1 -1,-0.1 -0.803 61.1-157.4-109.5 153.4 -19.5 -0.6 -20.9 30 34 A T - 0 0 113 10,-0.4 -1,-0.1 -2,-0.3 11,-0.1 0.576 41.0-116.1 -98.4 -13.8 -19.7 -3.6 -23.3 31 35 A G S S+ 0 0 60 2,-0.3 3,-0.1 9,-0.3 -5,-0.0 0.373 90.0 109.2 83.1 -3.0 -18.2 -2.1 -26.5 32 36 A A S S+ 0 0 89 1,-0.2 2,-0.5 8,-0.1 -3,-0.0 0.716 77.2 40.3 -68.0 -25.8 -21.5 -2.6 -28.2 33 37 A D + 0 0 31 7,-0.3 7,-2.6 2,-0.0 2,-0.4 -0.973 63.4 152.6-142.0 106.6 -22.3 1.2 -28.3 34 38 A V E -F 39 0B 72 -2,-0.5 2,-0.4 5,-0.2 3,-0.1 -0.982 17.5-171.1-141.7 131.1 -19.7 3.8 -29.2 35 39 A R E > S-F 38 0B 18 3,-2.4 3,-2.1 -2,-0.4 -2,-0.0 -0.996 75.2 -9.3-133.7 120.6 -20.6 7.1 -30.8 36 40 A H T 3 S- 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 178,-0.0 0.902 130.3 -58.2 53.7 45.5 -18.0 9.5 -32.1 37 41 A E T 3 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.409 114.9 116.5 65.9 5.1 -15.5 7.2 -30.4 38 42 A I E < -F 35 0B 2 -3,-2.1 -3,-2.4 212,-0.0 -1,-0.2 -0.911 65.0-125.3-107.8 123.7 -17.1 7.7 -26.9 39 43 A P E -F 34 0B 34 0, 0.0 212,-1.9 0, 0.0 2,-0.4 -0.213 19.5-143.9 -60.5 144.8 -18.6 4.5 -25.2 40 44 A V B -g 251 0C 4 -7,-2.6 -10,-0.4 210,-0.2 -7,-0.3 -0.943 16.6-119.3-112.7 135.7 -22.2 4.6 -24.1 41 45 A L - 0 0 0 210,-3.6 32,-0.1 -2,-0.4 -12,-0.1 -0.322 47.7 -77.3 -63.5 155.8 -23.4 2.9 -21.0 42 46 A P - 0 0 26 0, 0.0 211,-0.4 0, 0.0 2,-0.3 -0.226 47.9-105.9 -57.1 142.6 -26.1 0.1 -21.4 43 47 A N - 0 0 57 1,-0.1 4,-0.1 -3,-0.1 30,-0.1 -0.496 20.1-144.3 -61.4 124.4 -29.7 1.1 -21.9 44 48 A R S > S+ 0 0 107 -2,-0.3 3,-1.8 209,-0.2 2,-0.2 0.859 76.5 94.9 -62.0 -32.9 -31.6 0.6 -18.7 45 49 A V T 3 S- 0 0 119 1,-0.3 -2,-0.1 -3,-0.0 0, 0.0 -0.450 106.5 -2.7 -66.5 121.4 -34.8 -0.5 -20.8 46 50 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.526 90.9 148.7 74.5 6.4 -34.7 -4.3 -21.1 47 51 A L < - 0 0 34 -3,-1.8 -1,-0.2 -4,-0.1 5,-0.1 -0.636 50.2-123.2 -73.0 115.9 -31.4 -4.6 -19.2 48 52 A P > - 0 0 57 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.356 15.1-120.0 -65.5 145.5 -31.6 -8.0 -17.4 49 53 A I G > S+ 0 0 56 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.813 109.8 64.5 -56.8 -30.4 -31.1 -7.8 -13.6 50 54 A N G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.555 108.2 42.6 -72.7 -6.0 -28.0 -10.1 -13.7 51 55 A Q G < S+ 0 0 109 -3,-2.4 -1,-0.3 -49,-0.1 -2,-0.2 0.249 90.1 93.9-118.6 8.0 -26.2 -7.4 -15.8 52 56 A R S < S+ 0 0 17 -3,-1.9 20,-2.6 -4,-0.2 21,-0.4 0.777 80.5 37.1 -85.5 -28.9 -27.3 -4.4 -13.8 53 57 A F E - B 0 71A 3 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.818 50.0-160.8-127.3 159.5 -24.5 -3.8 -11.3 54 58 A I E - B 0 70A 2 16,-2.3 16,-2.5 -2,-0.3 2,-0.4 -0.938 20.2-135.3-124.0 159.5 -20.8 -3.9 -10.7 55 59 A L E -aB 4 69A 10 -52,-3.4 -50,-3.3 -2,-0.3 2,-0.5 -0.945 8.9-163.6-120.3 140.5 -19.0 -4.0 -7.4 56 60 A V E -aB 5 68A 0 12,-2.4 12,-3.1 -2,-0.4 2,-0.7 -0.950 9.5-157.7-120.9 107.4 -16.0 -2.0 -6.3 57 61 A E E -aB 6 67A 62 -52,-2.1 -50,-2.2 -2,-0.5 2,-0.5 -0.782 12.1-162.5 -88.0 112.5 -14.1 -3.4 -3.3 58 62 A L E -aB 7 66A 0 8,-3.2 8,-2.1 -2,-0.7 2,-0.3 -0.846 9.3-177.7-102.5 129.4 -12.2 -0.7 -1.7 59 63 A S E -aB 8 65A 32 -52,-2.3 -50,-2.5 -2,-0.5 2,-0.3 -0.822 5.5-161.0-118.0 162.4 -9.3 -1.5 0.8 60 64 A N > - 0 0 3 4,-1.3 3,-2.1 -2,-0.3 4,-0.1 -0.877 37.0-100.9-140.4 168.3 -7.1 0.8 2.8 61 65 A H T 3 S+ 0 0 149 1,-0.3 -1,-0.1 -2,-0.3 80,-0.0 0.849 118.3 65.1 -62.6 -30.9 -3.8 1.0 4.7 62 66 A A T 3 S- 0 0 56 79,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.335 117.5-115.1 -69.2 7.0 -5.8 0.7 8.0 63 67 A E S < S+ 0 0 173 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.775 73.1 127.3 67.5 33.3 -6.7 -2.9 6.7 64 68 A L - 0 0 18 -4,-0.1 -4,-1.3 2,-0.0 2,-0.3 -0.810 39.5-159.9-114.2 155.6 -10.4 -2.2 6.4 65 69 A S E -B 59 0A 50 -2,-0.3 2,-0.3 -6,-0.2 18,-0.3 -0.981 12.1-178.7-139.8 160.9 -12.6 -2.8 3.4 66 70 A V E -B 58 0A 1 -8,-2.1 -8,-3.2 -2,-0.3 2,-0.5 -0.980 19.2-139.0-146.7 145.6 -15.9 -1.7 2.0 67 71 A T E -BC 57 81A 7 14,-2.8 14,-2.4 -2,-0.3 2,-0.3 -0.948 13.8-160.7-115.4 119.2 -17.8 -2.7 -1.2 68 72 A L E -BC 56 80A 0 -12,-3.1 -12,-2.4 -2,-0.5 2,-0.5 -0.740 11.4-140.0 -92.2 146.0 -19.6 -0.0 -3.3 69 73 A A E -BC 55 79A 0 10,-2.9 9,-3.1 -2,-0.3 10,-0.9 -0.938 16.4-162.7-101.9 124.3 -22.3 -1.0 -5.8 70 74 A L E -BC 54 77A 0 -16,-2.5 -16,-2.3 -2,-0.5 2,-0.5 -0.905 17.7-131.7-104.1 132.6 -22.3 0.9 -9.1 71 75 A D E >> -B 53 0A 6 5,-2.4 4,-2.1 -2,-0.4 3,-0.9 -0.751 12.7-148.1 -73.6 123.2 -25.4 0.9 -11.4 72 76 A V T 34 S+ 0 0 5 -20,-2.6 -19,-0.1 -2,-0.5 -1,-0.1 0.742 91.4 66.1 -70.9 -20.6 -24.0 0.2 -14.9 73 77 A T T 34 S+ 0 0 5 -21,-0.4 180,-0.6 1,-0.2 -1,-0.2 0.763 128.6 2.0 -72.1 -24.1 -26.7 2.4 -16.6 74 78 A N T <4 S- 0 0 27 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.313 92.4-118.1-143.4 2.8 -25.3 5.6 -15.1 75 79 A A < + 0 0 0 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.619 60.7 156.7 60.4 16.6 -22.2 4.6 -13.1 76 80 A Y - 0 0 88 -5,-0.4 -5,-2.4 1,-0.1 2,-0.7 -0.457 51.1-119.6 -76.7 138.7 -23.9 5.9 -9.8 77 81 A V E +C 70 0A 7 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.733 35.9 177.8 -67.8 117.1 -22.9 4.6 -6.5 78 82 A V E - 0 0 23 -9,-3.1 11,-2.0 -2,-0.7 2,-0.3 0.632 56.0 -36.1 -99.9 -14.1 -26.2 3.0 -5.3 79 83 A G E -CD 69 88A 1 -10,-0.9 -10,-2.9 9,-0.3 -1,-0.3 -0.969 54.2-128.6 171.4 173.5 -25.1 1.6 -2.0 80 84 A Y E -CD 68 87A 1 7,-2.0 7,-2.2 -2,-0.3 2,-0.4 -0.978 5.5-140.9-148.8 159.3 -22.3 -0.0 -0.1 81 85 A R E +CD 67 86A 63 -14,-2.4 -14,-2.8 -2,-0.3 2,-0.4 -0.981 12.8 178.7-119.0 139.5 -21.5 -3.0 2.2 82 86 A A E > - D 0 85A 9 3,-2.2 3,-2.1 -2,-0.4 -16,-0.1 -0.945 64.2 -60.9-133.4 119.9 -19.2 -3.1 5.2 83 87 A G T 3 S- 0 0 59 -2,-0.4 -1,-0.1 -18,-0.3 65,-0.0 -0.222 123.1 -1.9 44.6-112.7 -19.0 -6.4 7.0 84 88 A N T 3 S+ 0 0 76 23,-0.1 2,-0.3 -3,-0.1 24,-0.3 0.325 121.9 63.7 -95.6 8.7 -22.4 -7.3 8.1 85 89 A S E < -D 82 0A 9 -3,-2.1 -3,-2.2 22,-0.1 2,-0.4 -0.956 54.3-165.4-129.3 147.9 -24.5 -4.2 7.1 86 90 A A E -De 81 110A 0 23,-2.1 25,-2.7 -2,-0.3 2,-0.4 -0.983 4.2-163.8-127.4 150.6 -25.5 -2.6 3.8 87 91 A Y E -De 80 111A 14 -7,-2.2 -7,-2.0 -2,-0.4 2,-0.4 -0.997 3.1-166.0-129.6 136.8 -26.9 0.8 3.1 88 92 A F E -De 79 112A 0 23,-2.2 25,-3.1 -2,-0.4 -9,-0.3 -0.941 26.1-112.3-120.5 147.2 -28.6 2.0 -0.0 89 93 A F - 0 0 15 -11,-2.0 27,-0.2 -2,-0.4 25,-0.1 -0.251 53.9 -84.6 -64.4 157.4 -29.5 5.5 -1.1 90 94 A H - 0 0 105 25,-2.9 27,-0.3 22,-0.1 -1,-0.1 -0.533 56.0-116.9 -70.4 124.4 -33.3 6.2 -1.3 91 95 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.328 6.9-138.8 -69.6 147.9 -34.4 4.9 -4.7 92 96 A D S S+ 0 0 127 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.703 81.2 1.1 -70.5 -26.9 -35.9 7.2 -7.4 93 97 A N S > S- 0 0 62 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.948 79.1 -92.7-158.0 172.1 -38.6 4.7 -8.4 94 98 A Q H > S+ 0 0 159 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.854 117.9 56.6 -65.1 -37.9 -40.1 1.2 -7.8 95 99 A E H > S+ 0 0 125 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.942 109.3 45.1 -64.8 -41.8 -37.9 -0.5 -10.4 96 100 A D H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.887 109.3 56.9 -64.8 -40.2 -34.7 0.7 -8.7 97 101 A A H X S+ 0 0 41 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.921 112.8 41.2 -51.1 -52.7 -36.1 -0.3 -5.3 98 102 A E H >< S+ 0 0 101 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 0.948 111.5 56.4 -64.7 -44.1 -36.6 -3.9 -6.7 99 103 A A H >< S+ 0 0 4 -4,-2.9 3,-2.3 1,-0.3 -2,-0.2 0.923 100.9 57.1 -57.7 -41.8 -33.2 -3.9 -8.5 100 104 A I H >< S+ 0 0 16 -4,-2.7 3,-1.8 1,-0.3 -1,-0.3 0.738 89.4 73.9 -65.4 -23.6 -31.3 -3.1 -5.3 101 105 A T T << S+ 0 0 73 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.701 88.2 64.6 -53.6 -20.9 -32.7 -6.2 -3.6 102 106 A H T < S+ 0 0 71 -3,-2.3 2,-0.4 -4,-0.4 3,-0.3 0.384 89.4 87.7 -87.5 2.0 -30.4 -8.2 -5.9 103 107 A L S < S- 0 0 0 -3,-1.8 -34,-0.0 1,-0.2 -3,-0.0 -0.838 99.9 -6.5-101.1 141.9 -27.3 -6.7 -4.2 104 108 A F S > S+ 0 0 12 -2,-0.4 3,-1.5 1,-0.1 -1,-0.2 0.888 77.2 174.6 55.8 44.5 -25.4 -7.9 -1.1 105 109 A T T 3 + 0 0 104 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.698 66.3 49.3 -70.6 -20.7 -28.2 -10.5 -0.7 106 110 A D T 3 S+ 0 0 137 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.403 81.2 121.7 -97.2 5.5 -26.7 -12.5 2.3 107 111 A V < - 0 0 21 -3,-1.5 2,-0.5 1,-0.0 -22,-0.1 -0.386 59.0-139.6 -68.0 138.0 -26.0 -9.4 4.5 108 112 A Q S S+ 0 0 123 -24,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.871 84.3 34.6 -95.6 135.5 -27.6 -9.4 7.8 109 113 A N - 0 0 63 -2,-0.5 -23,-2.1 1,-0.2 2,-0.4 0.866 68.2-179.1 77.9 97.3 -28.8 -5.8 8.3 110 114 A R E -e 86 0A 89 -25,-0.2 2,-0.4 -3,-0.1 -23,-0.2 -0.989 6.0-178.4-126.5 130.6 -29.8 -4.0 5.2 111 115 A Y E -e 87 0A 112 -25,-2.7 -23,-2.2 -2,-0.4 2,-0.5 -0.990 21.2-149.3-132.7 143.3 -31.0 -0.5 5.4 112 116 A T E -e 88 0A 77 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.947 26.3-129.8-107.2 126.7 -32.3 2.1 3.0 113 117 A F - 0 0 15 -25,-3.1 -26,-0.0 -2,-0.5 -2,-0.0 -0.433 12.3-130.4 -65.6 150.3 -31.3 5.7 3.8 114 118 A A S S+ 0 0 96 -24,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.411 88.9 70.9 -80.1 0.1 -34.3 8.0 3.8 115 119 A F S S- 0 0 22 1,-0.0 -25,-2.9 2,-0.0 -2,-0.1 -0.848 83.6-118.9-115.2 154.8 -32.3 10.4 1.6 116 120 A G - 0 0 21 -2,-0.3 -2,-0.1 -27,-0.2 -1,-0.0 -0.402 22.0-122.5 -80.7 169.9 -31.2 10.1 -2.1 117 121 A G + 0 0 12 -27,-0.3 -40,-0.1 -2,-0.1 2,-0.1 0.135 63.6 128.3-101.1 27.2 -27.4 10.0 -3.1 118 122 A N S > S- 0 0 63 1,-0.1 4,-2.2 -42,-0.1 3,-0.3 -0.417 71.7-111.5 -76.6 154.1 -27.3 13.0 -5.5 119 123 A Y H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.859 114.4 58.8 -51.7 -43.7 -24.6 15.6 -4.9 120 124 A D H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 112.2 40.4 -55.2 -46.7 -27.1 18.3 -3.8 121 125 A R H > S+ 0 0 88 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.901 115.5 50.3 -64.2 -44.6 -28.4 16.1 -1.0 122 126 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.893 109.3 52.6 -67.8 -36.6 -25.0 14.8 0.0 123 127 A E H X>S+ 0 0 19 -4,-2.8 5,-1.5 2,-0.2 4,-1.1 0.854 108.3 48.9 -66.8 -42.8 -23.7 18.3 0.2 124 128 A Q H ><5S+ 0 0 118 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.957 114.4 47.0 -57.5 -51.7 -26.5 19.5 2.5 125 129 A L H 3<5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.851 113.2 47.8 -62.1 -34.1 -25.9 16.5 4.8 126 130 A A H 3<5S- 0 0 9 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.730 101.7-133.6 -76.8 -21.1 -22.1 17.0 4.7 127 131 A G T <<5S+ 0 0 59 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.753 78.1 86.3 66.4 27.7 -22.5 20.8 5.5 128 132 A N S - 0 0 87 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.525 35.4-105.4 -87.4 159.0 -19.9 21.7 -1.2 130 134 A R G > S+ 0 0 18 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.908 119.1 64.3 -46.9 -41.1 -17.8 19.7 -3.5 131 135 A E G 3 S+ 0 0 84 1,-0.3 -1,-0.3 64,-0.1 64,-0.1 0.603 105.3 44.0 -62.3 -14.3 -15.6 22.7 -4.0 132 136 A N G < S+ 0 0 105 -3,-2.1 2,-0.6 63,-0.1 -1,-0.3 0.107 92.6 91.8-114.2 16.0 -14.5 22.6 -0.3 133 137 A I S < S- 0 0 0 -3,-2.0 61,-0.1 -4,-0.1 2,-0.1 -0.948 73.1-135.3-113.5 111.2 -13.9 18.8 0.0 134 138 A E - 0 0 85 -2,-0.6 2,-0.3 61,-0.2 61,-0.3 -0.380 19.5-158.5 -70.8 145.3 -10.4 17.8 -0.7 135 139 A L B +H 194 0D 0 59,-2.0 59,-2.2 57,-0.1 2,-0.3 -0.794 35.5 94.8-118.7 155.5 -9.8 14.7 -2.9 136 140 A G S > S- 0 0 1 -2,-0.3 4,-2.0 57,-0.2 5,-0.2 -0.835 86.3 -59.1 150.4-178.3 -6.8 12.5 -3.2 137 141 A N H > S+ 0 0 26 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.870 130.5 52.7 -62.6 -33.9 -5.5 9.2 -1.9 138 142 A G H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.957 110.0 46.9 -69.0 -51.2 -5.6 10.5 1.8 139 143 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.888 115.0 48.4 -52.6 -43.4 -9.3 11.6 1.6 140 144 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 107.7 52.7 -65.1 -43.8 -10.1 8.2 0.0 141 145 A E H X S+ 0 0 36 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.946 115.3 43.4 -55.0 -42.7 -8.1 6.2 2.7 142 146 A E H X S+ 0 0 98 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.872 109.4 55.8 -78.1 -33.3 -10.2 8.1 5.3 143 147 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.876 104.9 54.4 -63.8 -38.6 -13.5 7.7 3.4 144 148 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.952 110.2 44.7 -60.0 -48.7 -13.0 4.0 3.4 145 149 A S H X S+ 0 0 26 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.920 112.6 53.2 -58.6 -45.1 -12.6 4.0 7.2 146 150 A A H X S+ 0 0 12 -4,-2.6 4,-0.6 1,-0.3 -1,-0.2 0.851 111.7 43.8 -62.0 -41.7 -15.6 6.3 7.7 147 151 A L H >< S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.863 111.5 55.1 -69.4 -34.9 -17.9 4.1 5.7 148 152 A Y H 3< S+ 0 0 84 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.857 111.7 42.6 -70.6 -31.7 -16.5 1.0 7.4 149 153 A Y H ><>S+ 0 0 104 -4,-1.9 5,-1.3 1,-0.2 3,-0.7 0.435 84.2 98.3 -95.7 0.6 -17.3 2.4 10.9 150 154 A Y G X<5S+ 0 0 59 -3,-0.7 3,-2.0 -4,-0.6 5,-0.2 0.864 76.9 57.4 -52.3 -44.8 -20.8 3.8 10.3 151 155 A S G 3 5S+ 0 0 64 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.789 104.9 51.6 -64.3 -29.7 -22.8 0.8 11.6 152 156 A T G < 5S- 0 0 107 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.316 118.6-107.9 -86.9 7.0 -21.2 1.0 15.0 153 157 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 -4,-0.1 -2,-0.1 0.405 86.1 121.9 85.2 -1.8 -21.9 4.7 15.4 154 158 A G < + 0 0 48 -5,-1.3 2,-0.5 1,-0.1 -4,-0.2 0.698 61.9 62.1 -68.9 -24.8 -18.3 5.8 15.0 155 159 A T S S- 0 0 13 -6,-0.5 -2,-0.1 -5,-0.2 -1,-0.1 -0.940 78.4-134.6-118.9 129.8 -19.0 8.0 12.0 156 160 A Q > - 0 0 118 -2,-0.5 4,-2.4 1,-0.1 3,-0.5 -0.305 26.8-112.4 -74.3 149.9 -21.1 11.1 12.1 157 161 A L H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 116.1 55.1 -56.3 -41.9 -23.6 11.6 9.3 158 162 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.904 111.0 46.4 -60.2 -34.1 -21.9 14.7 7.9 159 163 A T H > S+ 0 0 64 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.853 109.0 55.0 -74.5 -38.1 -18.6 12.6 7.6 160 164 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.952 112.3 42.8 -51.3 -55.0 -20.6 9.7 6.0 161 165 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.906 113.6 51.5 -64.4 -43.0 -21.9 12.1 3.3 162 166 A R H X S+ 0 0 74 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.903 108.5 52.4 -55.3 -45.5 -18.6 13.7 2.9 163 167 A S H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.872 108.7 49.2 -61.5 -39.8 -17.0 10.2 2.4 164 168 A F H X S+ 0 0 1 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.887 107.3 55.5 -65.9 -40.4 -19.5 9.3 -0.3 165 169 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.913 109.7 47.5 -59.8 -41.4 -18.8 12.6 -2.1 166 170 A I H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 114.8 44.5 -60.4 -51.7 -15.1 11.6 -2.1 167 171 A C H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 5,-0.5 0.922 110.3 54.4 -63.4 -47.4 -15.8 8.0 -3.4 168 172 A I H X>S+ 0 0 12 -4,-3.5 5,-2.3 1,-0.2 4,-0.7 0.947 114.1 40.3 -54.4 -49.8 -18.3 9.1 -6.0 169 173 A Q H <>S+ 0 0 0 -4,-1.9 5,-1.0 -5,-0.2 -1,-0.2 0.908 116.2 48.5 -69.9 -36.8 -15.8 11.6 -7.6 170 174 A M H <5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.705 129.7 20.1 -77.0 -15.9 -12.7 9.4 -7.3 171 175 A I H X5S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.3 -3,-0.2 0.770 131.3 29.2-116.6 -68.6 -14.5 6.5 -8.7 172 176 A S H X5S+ 0 0 0 -4,-0.7 4,-2.6 -5,-0.5 -3,-0.2 0.929 125.0 44.5 -67.2 -46.9 -17.7 7.2 -10.8 173 177 A E H > S+ 0 0 58 -2,-0.4 4,-2.4 69,-0.3 69,-0.2 0.820 101.5 60.1 -46.7 -38.8 -10.5 10.9 -18.5 179 183 A Y H > S+ 0 0 62 68,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.908 106.7 42.7 -58.6 -43.4 -9.9 14.5 -17.4 180 184 A I H > S+ 0 0 1 -3,-0.4 4,-2.2 67,-0.4 -6,-0.2 0.897 111.5 55.5 -72.1 -40.4 -11.1 13.7 -13.8 181 185 A E H X S+ 0 0 6 -4,-2.5 4,-1.8 -7,-0.5 -1,-0.2 0.923 108.2 48.6 -53.4 -46.3 -9.2 10.6 -13.8 182 186 A G H X S+ 0 0 20 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.874 107.8 55.4 -67.0 -38.0 -6.0 12.6 -14.7 183 187 A E H X S+ 0 0 11 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.897 109.6 47.0 -57.2 -43.6 -6.8 15.1 -11.9 184 188 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.876 107.6 55.1 -65.6 -37.6 -6.9 12.3 -9.5 185 189 A R H X S+ 0 0 70 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.896 105.7 53.7 -64.2 -37.2 -3.6 10.9 -10.8 186 190 A T H X S+ 0 0 48 -4,-2.1 4,-2.2 1,-0.2 6,-0.2 0.916 108.3 49.1 -58.7 -51.1 -2.0 14.3 -10.2 187 191 A R H <>S+ 0 0 8 -4,-1.7 5,-1.5 1,-0.2 -1,-0.2 0.879 115.2 44.5 -54.2 -43.4 -3.1 14.2 -6.5 188 192 A I H ><5S+ 0 0 12 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.907 109.5 55.4 -72.4 -41.2 -1.8 10.7 -6.1 189 193 A R H 3<5S+ 0 0 144 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.899 118.9 32.1 -55.3 -48.0 1.5 11.3 -7.9 190 194 A Y T 3<5S- 0 0 147 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.319 104.7-128.8 -92.4 8.7 2.4 14.2 -5.6 191 195 A N T < 5 + 0 0 130 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.855 64.9 131.2 40.0 44.0 0.7 12.7 -2.6 192 196 A R < - 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