==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-SEP-93 2AAI . COMPND 2 MOLECULE: RICIN (A CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR E.RUTENBER,B.J.KATZIN,W.MONTFORT,J.E.VILLAFRANCA,S.R.ERNST, . 529 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 9 8 4 4 4 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 . 2 1 1 2 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 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 1 A I 0 0 162 0, 0.0 105,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.5 6.5 84.4 60.1 2 2 A F + 0 0 43 1,-0.1 2,-0.1 0, 0.0 0, 0.0 0.063 360.0 145.2 -55.7 119.0 5.7 80.9 61.4 3 3 A P + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.224 49.5 78.4 -96.9-115.8 2.5 79.9 63.3 4 4 A K S S- 0 0 127 -2,-0.1 2,-0.2 1,-0.1 50,-0.0 -0.210 85.7-108.8 43.3-131.2 1.2 76.2 62.5 5 5 A Q - 0 0 155 49,-0.2 -1,-0.1 2,-0.0 49,-0.0 -0.645 27.8-110.9 171.1 125.2 3.3 73.5 64.3 6 6 A Y - 0 0 14 -2,-0.2 52,-0.2 101,-0.2 2,-0.1 -0.415 41.1 -94.3 -73.2 157.6 5.8 71.2 62.6 7 7 A P - 0 0 53 0, 0.0 52,-3.3 0, 0.0 2,-0.5 -0.434 36.4-150.8 -65.7 143.5 5.0 67.4 62.3 8 8 A I E +a 59 0A 99 50,-0.2 2,-0.4 -2,-0.1 52,-0.2 -0.949 16.0 179.0-129.6 119.7 6.4 65.0 65.0 9 9 A I E -a 60 0A 14 50,-2.2 52,-2.2 -2,-0.5 2,-0.4 -0.944 17.9-160.7-111.5 127.8 7.3 61.3 64.5 10 10 A N E -a 61 0A 94 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.946 12.8-178.5-120.5 144.1 8.7 59.6 67.6 11 11 A F E -a 62 0A 10 50,-1.7 52,-1.0 -2,-0.4 2,-0.4 -0.892 11.4-152.7-123.3 155.4 10.6 56.5 68.0 12 12 A T E -a 63 0A 52 -2,-0.3 52,-0.2 50,-0.2 50,-0.1 -0.998 13.0-158.6-133.8 135.5 11.9 54.8 71.1 13 13 A T S > S+ 0 0 0 50,-2.5 3,-0.9 -2,-0.4 51,-0.2 0.532 75.0 95.4 -80.1 -10.3 14.9 52.7 71.4 14 14 A A T 3 S+ 0 0 23 49,-0.4 2,-0.8 1,-0.2 -1,-0.1 0.949 105.5 2.5 -48.8 -89.4 13.4 51.2 74.6 15 15 A G T 3 S+ 0 0 70 49,-0.1 -1,-0.2 2,-0.0 5,-0.1 -0.324 93.3 172.9-105.1 54.9 11.7 48.0 73.3 16 16 A A < + 0 0 16 -3,-0.9 2,-0.2 -2,-0.8 -3,-0.1 -0.296 4.1 172.6 -59.2 135.8 12.9 48.5 69.7 17 17 A T > - 0 0 71 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.805 49.0 -95.3-142.7 171.8 12.1 45.7 67.3 18 18 A V H > S+ 0 0 20 -2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.939 123.3 51.1 -70.6 -36.9 12.6 45.4 63.4 19 19 A Q H > S+ 0 0 106 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.928 109.4 46.2 -65.6 -42.6 8.9 46.4 62.9 20 20 A S H > S+ 0 0 43 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.859 114.7 49.4 -73.4 -25.7 9.0 49.6 65.1 21 21 A Y H >X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 3,-1.1 0.993 113.6 47.5 -61.7 -54.6 12.2 50.6 63.3 22 22 A T H 3X S+ 0 0 29 -4,-2.9 4,-2.1 1,-0.3 -2,-0.2 0.867 113.7 45.4 -55.7 -47.1 10.5 49.9 60.0 23 23 A N H 3X S+ 0 0 82 -4,-3.3 4,-1.6 1,-0.2 -1,-0.3 0.735 107.8 58.8 -71.8 -19.2 7.4 51.8 60.8 24 24 A F H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 3,-0.8 0.935 114.9 48.2 -63.9 -52.0 9.7 59.8 58.3 29 29 A R H >X S+ 0 0 40 -4,-2.8 4,-1.7 1,-0.3 3,-0.6 0.942 110.9 50.7 -57.7 -46.5 9.7 59.1 54.6 30 30 A G H 3< S+ 0 0 55 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.693 111.4 49.6 -70.5 -13.8 5.9 59.8 54.3 31 31 A R H <4 S+ 0 0 126 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.658 107.8 52.8 -97.7 -22.0 6.5 63.1 56.1 32 32 A L H << S+ 0 0 4 -4,-1.4 2,-0.3 -3,-0.6 -2,-0.2 0.914 109.2 45.3 -78.6 -45.0 9.4 64.3 53.9 33 33 A T < - 0 0 23 -4,-1.7 12,-0.1 12,-0.1 -1,-0.1 -0.813 63.6-150.6-102.7 149.4 7.8 63.9 50.5 34 34 A T - 0 0 121 -2,-0.3 -1,-0.1 10,-0.3 11,-0.1 0.175 43.7-113.8 -98.4 4.9 4.3 65.1 49.4 35 35 A G S S+ 0 0 60 9,-0.2 3,-0.1 2,-0.2 10,-0.1 0.306 87.9 109.8 86.6 -11.3 3.7 62.4 46.7 36 36 A A S S+ 0 0 89 1,-0.2 2,-0.6 8,-0.1 -1,-0.1 0.856 72.1 41.6 -70.7 -36.8 3.7 64.9 43.9 37 37 A D + 0 0 36 7,-0.4 7,-2.5 2,-0.0 2,-0.4 -0.941 56.7 160.4-128.1 105.0 7.0 64.2 42.2 38 38 A V E -F 43 0B 51 -2,-0.6 2,-0.4 5,-0.2 3,-0.1 -0.977 17.3-168.4-116.8 134.2 8.2 60.6 41.6 39 39 A R E > S-F 42 0B 0 3,-1.9 3,-0.9 -2,-0.4 228,-0.1 -0.942 72.6 -11.4-132.8 114.1 10.8 60.2 38.8 40 40 A H T 3 S- 0 0 2 227,-1.2 2,-0.2 -2,-0.4 -1,-0.2 0.929 129.4 -58.8 61.0 45.6 11.8 56.8 37.5 41 41 A E T 3 S+ 0 0 56 226,-0.9 -1,-0.2 1,-0.1 447,-0.1 0.068 115.2 105.3 71.7 -17.6 9.8 55.4 40.4 42 42 A I E < S-F 39 0B 0 -3,-0.9 -3,-1.9 -2,-0.2 212,-0.1 -0.662 73.7-109.2 -85.9 140.8 11.8 57.0 43.4 43 43 A P E -F 38 0B 30 0, 0.0 212,-1.6 0, 0.0 2,-0.4 -0.492 24.7-147.6 -68.1 143.8 10.3 60.0 45.4 44 44 A V B -g 255 0C 6 -7,-2.5 -7,-0.4 210,-0.2 -10,-0.3 -0.880 16.5-129.1-110.4 142.3 11.8 63.5 45.0 45 45 A L - 0 0 4 210,-2.8 32,-0.2 -2,-0.4 -12,-0.1 -0.188 39.7 -73.0 -86.5 172.0 11.8 65.9 48.0 46 46 A P - 0 0 23 0, 0.0 211,-0.6 0, 0.0 2,-0.4 -0.292 45.0-111.6 -67.2 162.8 10.5 69.5 47.9 47 47 A N - 0 0 45 3,-0.4 211,-0.1 209,-0.1 30,-0.0 -0.810 19.4-140.6 -90.7 132.8 12.4 72.3 46.2 48 48 A R S S+ 0 0 119 -2,-0.4 3,-0.3 209,-0.2 -1,-0.1 0.473 97.8 60.7 -75.1 -7.3 13.8 74.8 48.8 49 49 A V S S+ 0 0 105 1,-0.3 2,-1.8 3,-0.0 -1,-0.1 0.893 106.4 45.0 -77.7 -69.6 13.0 77.8 46.6 50 50 A G S S+ 0 0 56 2,-0.0 -3,-0.4 1,-0.0 -1,-0.3 -0.571 93.2 110.5 -79.2 88.6 9.3 77.0 46.5 51 51 A L - 0 0 42 -2,-1.8 2,-0.2 -3,-0.3 5,-0.0 -0.735 58.2-140.3-163.1 119.6 8.7 76.3 50.2 52 52 A P >> - 0 0 70 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.552 31.8-120.8 -58.3 137.2 6.9 78.1 53.0 53 53 A I T 34 S+ 0 0 20 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.736 112.2 62.5 -55.6 -25.0 8.9 77.8 56.3 54 54 A N T 34 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.1 -49,-0.2 0.636 106.6 44.2 -71.6 -18.9 5.9 76.1 57.9 55 55 A Q T <4 S+ 0 0 87 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.596 97.7 88.1 -96.2 -6.5 6.3 73.3 55.5 56 56 A R S < S+ 0 0 20 -4,-0.7 20,-1.7 -3,-0.2 21,-0.5 0.607 84.1 25.4 -66.2 -31.8 10.2 73.3 55.9 57 57 A F E - B 0 75A 1 -4,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.944 56.1-153.8-139.9 150.3 11.2 70.9 58.8 58 58 A I E - B 0 74A 4 16,-2.0 16,-2.7 -2,-0.3 2,-0.5 -0.883 21.5-126.7-120.9 156.2 9.7 67.9 60.5 59 59 A L E -aB 8 73A 20 -52,-3.3 -50,-2.2 -2,-0.3 2,-0.5 -0.919 14.5-165.3-112.4 131.2 10.5 66.9 64.1 60 60 A V E -aB 9 72A 0 12,-3.0 12,-2.4 -2,-0.5 2,-0.7 -0.931 7.8-160.1-111.1 115.5 11.7 63.5 65.2 61 61 A E E -aB 10 71A 69 -52,-2.2 -50,-1.7 -2,-0.5 2,-0.4 -0.869 13.4-174.7 -98.0 113.4 11.4 62.8 69.1 62 62 A L E +aB 11 70A 0 8,-2.9 8,-2.8 -2,-0.7 2,-0.3 -0.862 5.7 173.7-104.7 147.4 13.8 60.0 70.1 63 63 A S E -aB 12 69A 25 -52,-1.0 -50,-2.5 -2,-0.4 -49,-0.4 -0.940 24.3-130.8-145.0 168.7 13.9 58.5 73.7 64 64 A N - 0 0 6 4,-1.9 2,-1.3 -2,-0.3 3,-0.5 -0.790 19.0-132.0-108.3 145.8 15.5 55.7 75.9 65 65 A H S S+ 0 0 167 -2,-0.3 80,-0.0 1,-0.2 -53,-0.0 -0.835 110.3 71.0-101.9 81.0 13.6 53.2 78.4 66 66 A A S S- 0 0 66 -2,-1.3 2,-0.9 2,-0.1 -1,-0.2 -0.029 124.4 -92.1 177.5 26.4 16.3 54.2 80.4 67 67 A E S S+ 0 0 153 -3,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.553 82.8 92.3 94.3 -68.8 14.9 57.8 80.9 68 68 A L - 0 0 9 -2,-0.9 -4,-1.9 -5,-0.1 2,-0.3 0.085 40.7-166.8 -74.4-178.7 15.9 60.6 78.5 69 69 A S E -B 63 0A 47 -6,-0.2 18,-0.4 79,-0.1 2,-0.3 -0.968 3.2-175.2-162.6 144.5 14.5 62.1 75.3 70 70 A V E -B 62 0A 2 -8,-2.8 -8,-2.9 -2,-0.3 2,-0.5 -0.958 17.7-137.1-140.6 154.6 15.8 64.5 72.5 71 71 A T E -BC 61 85A 21 14,-2.3 14,-1.6 -2,-0.3 2,-0.4 -0.952 13.5-159.5-124.2 115.1 14.1 66.0 69.4 72 72 A L E -BC 60 84A 0 -12,-2.4 -12,-3.0 -2,-0.5 2,-0.7 -0.779 11.3-140.8 -95.3 131.1 15.8 66.3 66.1 73 73 A A E -BC 59 83A 0 10,-1.9 9,-2.4 -2,-0.4 10,-0.8 -0.761 17.4-160.3 -89.3 112.7 14.7 68.7 63.4 74 74 A L E -BC 58 81A 0 -16,-2.7 -16,-2.0 -2,-0.7 2,-0.7 -0.767 16.4-129.5 -92.1 136.3 14.9 67.2 59.9 75 75 A D E >>> -BC 57 80A 3 5,-2.5 4,-1.5 -2,-0.4 3,-1.4 -0.814 12.2-147.1 -87.1 121.6 15.0 69.5 56.9 76 76 A V T 345S+ 0 0 6 -20,-1.7 -1,-0.1 -2,-0.7 -19,-0.1 0.823 91.2 60.8 -55.2 -32.4 12.4 68.3 54.4 77 77 A T T 345S+ 0 0 11 -21,-0.5 180,-0.4 1,-0.2 -1,-0.3 0.690 126.9 9.8 -79.0 -15.6 14.4 69.3 51.3 78 78 A N T <45S- 0 0 53 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.201 95.8-121.5-142.4 12.4 17.5 67.0 51.9 79 79 A A T <5 + 0 0 0 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.650 67.2 139.1 52.4 25.7 16.1 64.8 54.8 80 80 A Y E < -C 75 0A 37 -5,-0.6 -5,-2.5 -6,-0.1 2,-0.3 -0.734 59.2-104.2-113.5 148.8 19.1 66.0 57.0 81 81 A V E +C 74 0A 4 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.485 30.5 175.4 -71.8 120.0 19.4 67.0 60.6 82 82 A V E - 0 0 25 -9,-2.4 11,-2.1 -2,-0.3 2,-0.3 0.614 62.1 -54.9 -91.2 -26.4 19.7 70.8 61.3 83 83 A G E -CD 73 92A 0 -10,-0.8 -10,-1.9 9,-0.3 2,-0.3 -0.980 50.3-117.6 178.0-159.5 19.7 70.6 65.1 84 84 A Y E -CD 72 91A 0 7,-2.4 7,-2.5 -2,-0.3 2,-0.4 -0.979 8.3-130.1-163.5 164.1 17.9 69.5 68.2 85 85 A R E +CD 71 90A 60 -14,-1.6 -14,-2.3 -2,-0.3 2,-0.4 -0.990 21.0 176.5-123.4 138.3 16.2 70.3 71.5 86 86 A A E > - D 0 89A 0 3,-2.8 3,-2.7 -2,-0.4 2,-0.2 -0.973 62.6 -46.4-144.9 112.1 17.1 68.7 74.8 87 87 A G T 3 S- 0 0 43 -2,-0.4 65,-0.0 -18,-0.4 -17,-0.0 -0.348 125.0 -15.3 67.9-123.0 15.4 69.9 77.9 88 88 A N T 3 S+ 0 0 79 -2,-0.2 25,-0.9 23,-0.1 24,-0.6 0.344 124.7 82.6 -97.2 6.1 15.4 73.6 78.0 89 89 A S E < -De 86 113A 3 -3,-2.7 -3,-2.8 23,-0.2 2,-0.4 -0.817 53.9-165.4-120.3 153.3 18.0 73.9 75.3 90 90 A A E -De 85 114A 0 23,-0.5 25,-3.1 -2,-0.3 2,-0.4 -0.998 10.4-170.6-139.2 124.4 18.1 73.9 71.5 91 91 A Y E -De 84 115A 15 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.4 -0.954 4.2-170.8-121.8 134.7 21.4 73.4 69.5 92 92 A F E -De 83 116A 1 23,-2.0 25,-2.8 -2,-0.4 -9,-0.3 -0.971 26.3-110.6-128.4 140.0 21.8 73.9 65.8 93 93 A F - 0 0 15 -11,-2.1 27,-0.2 -2,-0.4 25,-0.1 -0.376 53.5 -87.2 -61.3 152.7 24.6 73.2 63.3 94 94 A H - 0 0 82 25,-2.6 27,-0.1 1,-0.1 -1,-0.1 -0.516 45.5-125.3 -71.7 107.9 26.1 76.2 61.8 95 95 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.086 12.0-149.3 -53.6 142.3 24.0 77.2 58.7 96 96 A D S S+ 0 0 113 1,-0.1 2,-0.3 -3,-0.0 -2,-0.1 0.426 72.0 33.7-101.5 9.2 26.2 77.5 55.7 97 97 A N S > S- 0 0 63 1,-0.1 4,-2.2 0, 0.0 -1,-0.1 -0.998 80.1-110.0-158.0 156.8 24.2 80.2 53.9 98 98 A Q H > S+ 0 0 186 -2,-0.3 4,-1.2 2,-0.2 5,-0.1 0.793 111.9 56.4 -57.2 -33.0 22.0 83.3 54.6 99 99 A E H >> S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 3,-0.8 0.988 111.4 44.6 -69.7 -50.8 18.7 81.8 53.5 100 100 A D H 3> S+ 0 0 38 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.874 104.9 58.8 -55.9 -51.7 19.1 78.9 56.0 101 101 A A H 3X S+ 0 0 41 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.858 106.3 50.5 -49.8 -33.2 20.2 80.9 59.0 102 102 A E H X< S+ 0 0 124 -4,-1.2 3,-0.5 -3,-0.8 -1,-0.2 0.952 111.3 50.8 -68.0 -42.4 16.9 82.9 58.7 103 103 A A H >< S+ 0 0 2 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.852 96.0 63.7 -60.2 -46.7 14.9 79.6 58.6 104 104 A I H >< S+ 0 0 9 -4,-2.0 3,-2.8 1,-0.3 4,-0.3 0.835 86.6 78.5 -55.1 -33.7 16.4 77.9 61.7 105 105 A T T << S+ 0 0 61 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.592 90.2 55.2 -40.1 -21.9 14.9 80.8 63.7 106 106 A H T < S+ 0 0 22 -3,-2.0 3,-0.4 -4,-0.1 -1,-0.3 0.508 86.1 90.1-103.7 0.3 11.5 79.1 63.5 107 107 A L S < S+ 0 0 8 -3,-2.8 2,-0.7 1,-0.2 -101,-0.2 0.986 99.2 2.7 -70.6 -69.9 12.5 75.8 64.9 108 108 A F S > S+ 0 0 7 -4,-0.3 3,-1.7 1,-0.2 -1,-0.2 -0.627 70.3 169.0-122.1 76.2 12.1 75.5 68.7 109 109 A T T 3 + 0 0 92 -2,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.686 66.2 60.2 -62.8 -18.3 10.7 78.8 69.5 110 110 A D T 3 S+ 0 0 120 -3,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.661 78.9 119.4 -84.3 -13.4 9.7 78.0 73.1 111 111 A V S < S- 0 0 14 -3,-1.7 3,-0.3 1,-0.1 -22,-0.1 -0.220 71.0-125.5 -65.5 148.8 13.2 77.3 74.3 112 112 A Q S S- 0 0 122 -24,-0.6 2,-0.3 1,-0.2 -23,-0.2 0.935 92.0 -14.6 -46.4 -74.7 15.0 79.2 77.0 113 113 A N E -e 89 0A 103 -25,-0.9 -23,-0.5 2,-0.0 -1,-0.2 -0.849 60.9-139.3-160.4 138.2 17.9 79.8 74.6 114 114 A R E -e 90 0A 94 -2,-0.3 2,-0.4 -3,-0.3 -23,-0.2 -0.394 16.7-157.6 -71.4 142.6 19.0 78.5 71.4 115 115 A Y E -e 91 0A 136 -25,-3.1 -23,-2.0 -2,-0.1 2,-0.5 -0.989 3.6-151.1-126.1 135.6 22.8 77.9 70.8 116 116 A T E -e 92 0A 71 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.938 19.3-129.7-112.8 125.9 24.4 77.7 67.3 117 117 A F - 0 0 15 -25,-2.8 -1,-0.0 -2,-0.5 -26,-0.0 -0.070 8.1-131.9 -65.7 162.8 27.5 75.5 66.9 118 118 A A S S+ 0 0 87 2,-0.1 2,-0.2 -25,-0.1 -1,-0.1 0.643 88.4 58.2 -87.5 -18.0 30.7 76.8 65.3 119 119 A F S S- 0 0 19 1,-0.1 -25,-2.6 7,-0.0 2,-0.2 -0.516 81.2-116.9-108.0 171.5 30.9 73.7 63.0 120 120 A G - 0 0 1 -27,-0.2 6,-0.1 -2,-0.2 -1,-0.1 -0.555 19.4-122.0-103.5 172.2 28.6 72.1 60.5 121 121 A G + 0 0 7 -2,-0.2 2,-0.3 -27,-0.1 -40,-0.1 0.157 69.0 125.3-100.4 13.2 27.0 68.7 60.5 122 122 A N S >> S- 0 0 64 1,-0.1 4,-2.1 4,-0.0 3,-0.8 -0.631 72.3-121.9 -69.2 139.1 28.6 67.6 57.3 123 123 A Y H 3> S+ 0 0 18 -2,-0.3 4,-3.3 1,-0.2 5,-0.4 0.898 108.5 67.0 -51.1 -50.6 30.4 64.3 58.2 124 124 A D H 3> S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.840 110.3 36.4 -33.6 -52.0 33.8 65.7 57.1 125 125 A R H <> S+ 0 0 84 -3,-0.8 4,-2.3 2,-0.2 3,-0.4 0.972 117.5 50.3 -73.4 -47.7 33.6 68.1 60.1 126 126 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.3 5,-0.2 0.891 111.1 48.4 -62.2 -39.2 31.9 65.8 62.5 127 127 A E H X>S+ 0 0 26 -4,-3.3 4,-0.8 1,-0.3 5,-0.7 0.786 110.0 51.3 -75.9 -30.1 34.4 62.9 61.9 128 128 A Q H <5S+ 0 0 137 -4,-1.4 3,-0.4 -5,-0.4 -1,-0.3 0.929 112.7 48.0 -67.9 -37.8 37.4 65.2 62.3 129 129 A L H <5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.746 111.2 48.6 -76.9 -22.6 35.8 66.4 65.6 130 130 A A H <5S- 0 0 12 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.617 101.7-135.5 -85.0 -16.7 35.1 62.8 66.8 131 131 A G T <5S+ 0 0 70 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.2 0.604 79.3 91.6 72.1 10.0 38.8 61.9 65.9 132 132 A N S > - 0 0 81 -2,-0.3 3,-3.4 1,-0.1 4,-0.9 -0.518 36.9-102.3 -77.3 149.3 35.8 58.1 60.8 134 134 A R T 34 S+ 0 0 12 1,-0.3 -1,-0.1 2,-0.2 71,-0.0 0.605 121.7 63.5 -39.1 -22.2 32.2 56.6 60.2 135 135 A E T 34 S+ 0 0 79 64,-0.2 -1,-0.3 1,-0.1 64,-0.1 0.523 104.3 44.8 -83.5 -12.4 33.9 53.2 59.6 136 136 A N T <4 S+ 0 0 90 -3,-3.4 2,-0.5 2,-0.1 -2,-0.2 0.581 97.6 83.4-106.2 -8.5 35.2 53.2 63.2 137 137 A I S < S- 0 0 0 -4,-0.9 2,-0.1 63,-0.0 61,-0.0 -0.808 78.0-134.5 -99.8 125.5 31.9 54.3 64.8 138 138 A E - 0 0 69 -2,-0.5 61,-0.3 61,-0.2 2,-0.3 -0.476 13.8-155.4 -83.0 155.1 29.4 51.4 65.3 139 139 A L B +H 198 0D 0 59,-2.6 59,-1.8 -2,-0.1 2,-0.2 -0.783 39.4 101.5-127.1 157.8 25.7 51.5 64.5 140 140 A G S > S- 0 0 0 -2,-0.3 4,-1.7 57,-0.2 57,-0.1 -0.713 83.1 -73.1 140.6 170.3 22.9 49.5 66.0 141 141 A N H > S+ 0 0 30 55,-0.3 4,-2.3 1,-0.2 3,-0.2 0.954 129.5 55.8 -63.9 -43.9 20.1 50.1 68.7 142 142 A G H > S+ 0 0 19 1,-0.2 4,-1.3 54,-0.2 -1,-0.2 0.845 106.3 50.9 -61.3 -40.6 22.6 50.1 71.5 143 143 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.842 109.0 50.5 -56.1 -40.8 24.7 52.9 69.8 144 144 A L H X S+ 0 0 3 -4,-1.7 4,-2.5 -3,-0.2 5,-0.2 0.924 107.5 53.9 -69.8 -38.9 21.6 55.1 69.3 145 145 A E H X S+ 0 0 60 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.933 111.4 46.3 -52.8 -48.8 20.5 54.7 73.1 146 146 A E H X S+ 0 0 106 -4,-1.3 4,-2.5 -5,-0.2 -1,-0.2 0.925 111.9 51.7 -57.9 -45.3 24.0 55.9 74.0 147 147 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.818 106.1 52.7 -69.7 -34.3 23.7 58.8 71.5 148 148 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.946 111.4 47.9 -68.2 -37.0 20.4 59.9 72.8 149 149 A S H X S+ 0 0 35 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.940 112.3 48.5 -68.1 -41.2 22.0 60.0 76.3 150 150 A A H X S+ 0 0 26 -4,-2.5 4,-1.2 2,-0.2 9,-0.3 0.922 113.0 47.6 -64.4 -37.6 25.1 61.9 75.0 151 151 A L H >X S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.8 0.985 111.5 51.2 -64.4 -51.7 22.9 64.4 73.2 152 152 A Y H >X S+ 0 0 63 -4,-2.8 3,-1.0 1,-0.3 4,-0.6 0.859 110.0 49.2 -54.4 -48.8 20.7 64.9 76.3 153 153 A Y H 3X>S+ 0 0 97 -4,-2.7 5,-1.2 1,-0.2 4,-0.8 0.615 91.1 74.3 -78.9 -6.7 23.7 65.6 78.6 154 154 A Y H <<5S+ 0 0 52 -4,-1.2 -1,-0.2 -3,-1.2 -2,-0.2 0.913 95.4 57.2 -62.6 -33.4 25.4 68.2 76.4 155 155 A S H <<5S+ 0 0 20 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.931 113.8 36.0 -62.2 -40.4 22.5 70.5 77.6 156 156 A T H <5S- 0 0 89 -4,-0.6 -2,-0.1 -67,-0.0 -3,-0.1 0.911 125.4 -90.5 -77.2 -88.0 23.4 70.0 81.3 157 157 A G T <5S+ 0 0 47 -4,-0.8 -3,-0.2 2,-0.1 3,-0.1 0.386 94.9 108.2-172.2 1.2 27.2 69.8 81.0 158 158 A G < + 0 0 59 -5,-1.2 -4,-0.2 1,-0.1 2,-0.1 0.975 54.7 141.2 -46.3 -51.6 28.6 66.2 80.5 159 159 A T + 0 0 58 -6,-0.4 -1,-0.1 -9,-0.3 -5,-0.1 -0.446 24.8 168.8 53.6-123.4 29.2 67.7 77.1 160 160 A Q >> - 0 0 130 -3,-0.1 4,-1.4 -2,-0.1 3,-0.7 0.872 33.1-135.9 71.2 95.0 32.6 66.5 75.7 161 161 A L H 3> S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.818 96.1 55.5 -48.3 -50.3 32.9 67.5 72.0 162 162 A P H 3> S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.929 112.6 46.4 -48.9 -40.7 34.3 64.2 70.4 163 163 A T H <> S+ 0 0 71 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.789 109.3 51.6 -78.7 -28.7 31.4 62.3 71.9 164 164 A L H >X S+ 0 0 2 -4,-1.4 4,-2.4 -3,-0.4 3,-1.2 0.999 113.0 46.4 -70.3 -56.4 28.7 64.7 70.8 165 165 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.822 111.4 51.4 -53.0 -41.4 30.1 64.6 67.2 166 166 A R H 3X S+ 0 0 72 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.3 0.829 110.5 50.2 -63.9 -30.6 30.3 60.8 67.4 167 167 A S H X>S+ 0 0 0 -4,-2.2 5,-2.7 -5,-0.2 3,-0.5 0.944 114.2 47.5 -65.5 -43.2 22.1 61.0 61.0 173 173 A Q H 3<5S+ 0 0 0 -4,-1.5 5,-0.3 -5,-0.3 -2,-0.2 0.926 114.4 44.3 -70.0 -37.2 23.1 57.6 59.7 174 174 A M H 3<5S+ 0 0 2 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.568 131.1 19.6 -86.6 -7.6 20.3 55.7 61.5 175 175 A I H S+ 0 0 21 -2,-0.4 4,-1.4 1,-0.2 70,-0.1 0.724 100.8 62.8 -71.1 -15.4 16.1 51.4 51.6 183 183 A Y H > S+ 0 0 2 68,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.965 105.9 41.1 -72.8 -47.6 19.6 49.8 51.5 184 184 A I H >> S+ 0 0 0 67,-0.3 4,-2.0 -7,-0.3 3,-0.6 0.930 112.1 56.5 -72.3 -35.5 20.8 51.6 54.6 185 185 A E H 3X S+ 0 0 10 -4,-2.2 4,-2.2 -7,-0.4 -1,-0.2 0.888 108.6 46.2 -53.0 -47.9 17.4 51.1 56.4 186 186 A G H 3X S+ 0 0 7 -4,-1.4 4,-0.9 2,-0.2 -1,-0.3 0.705 108.4 57.7 -69.9 -23.3 17.6 47.3 56.0 187 187 A E H X>S+ 0 0 5 -4,-1.2 5,-2.5 -3,-0.2 4,-0.9 0.932 113.9 47.3 -61.5 -54.3 21.7 45.1 63.4 192 192 A I H ><5S+ 0 0 18 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.986 109.7 55.3 -55.1 -58.2 18.4 45.5 65.5 193 193 A R H 3<5S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.744 122.4 25.5 -48.9 -30.9 17.3 41.9 64.6 194 194 A Y H <<5S- 0 0 115 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.359 107.8-113.2-119.2 6.3 20.5 40.3 65.9 195 195 A N T <<5 + 0 0 148 -3,-1.6 2,-0.3 -4,-0.9 -3,-0.2 0.969 58.5 166.6 52.8 59.6 21.6 42.8 68.4 196 196 A R < - 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