==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIVIRAL PROTEIN 04-MAY-99 1QCG . COMPND 2 MOLECULE: POKEWEED ANTIVIRAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA AMERICANA; . AUTHOR I.V.KURINOV,D.E.MYERS,J.D.IRVIN,F.M.UCKUN . 524 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 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 . 47 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 0 0 2 0 2 2 2 0 0 0 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 0 2 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 . 6 2 0 2 2 2 2 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 2 0 0 2 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 V 0 0 78 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 125.0 10.5 22.9 22.0 2 2 A N - 0 0 88 47,-0.5 49,-2.7 24,-0.1 2,-0.4 -0.700 360.0-142.7-102.1 152.1 10.0 21.1 18.7 3 3 A T E -a 51 0A 63 -2,-0.3 2,-0.6 47,-0.2 49,-0.2 -0.944 3.3-144.8-119.8 138.2 6.7 20.6 17.0 4 4 A I E -a 52 0A 20 47,-2.6 49,-2.5 -2,-0.4 2,-0.6 -0.935 18.3-147.9-100.2 120.0 5.6 17.5 15.1 5 5 A I E -a 53 0A 99 -2,-0.6 2,-0.5 47,-0.2 49,-0.2 -0.839 16.8-177.4 -95.7 121.0 3.3 18.5 12.1 6 6 A Y E -a 54 0A 7 47,-3.2 49,-2.4 -2,-0.6 2,-1.1 -0.968 20.7-144.5-122.4 118.5 0.6 16.0 11.2 7 7 A N E +a 55 0A 66 -2,-0.5 49,-0.2 47,-0.2 3,-0.1 -0.686 21.5 176.1 -82.1 100.3 -1.7 16.6 8.2 8 8 A V S S+ 0 0 3 47,-1.6 3,-0.3 -2,-1.1 48,-0.2 0.899 72.8 61.1 -71.7 -41.3 -5.0 15.2 9.4 9 9 A G S S+ 0 0 33 46,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.768 116.4 26.6 -58.3 -30.4 -6.9 16.2 6.2 10 10 A S S S+ 0 0 76 45,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.856 87.3 127.5-141.6 104.5 -4.8 14.1 3.9 11 11 A T - 0 0 32 -2,-0.4 2,-0.3 -3,-0.3 -3,-0.1 -0.857 37.6-148.0-145.6-179.4 -3.0 11.0 5.2 12 12 A T > - 0 0 68 -2,-0.3 4,-1.9 180,-0.0 3,-0.2 -0.873 43.2-101.0-144.8 166.5 -2.2 7.3 4.9 13 13 A I H > S+ 0 0 77 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.754 124.2 56.9 -65.5 -23.5 -1.5 4.7 7.6 14 14 A S H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 107.1 45.8 -74.1 -38.9 2.2 5.2 6.6 15 15 A K H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.817 111.0 53.3 -74.3 -29.6 2.1 8.9 7.4 16 16 A Y H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.947 110.2 48.3 -67.6 -45.2 0.2 8.2 10.6 17 17 A A H X S+ 0 0 24 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.852 110.4 50.5 -61.3 -40.1 3.0 5.8 11.6 18 18 A T H X S+ 0 0 76 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.890 108.4 54.5 -65.5 -39.8 5.7 8.3 10.7 19 19 A F H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.947 110.7 43.5 -57.4 -55.2 3.9 10.9 12.8 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.851 111.5 54.3 -61.8 -36.6 3.9 8.7 15.9 21 21 A N H X S+ 0 0 85 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.868 111.1 46.2 -65.8 -37.3 7.5 7.6 15.3 22 22 A D H X S+ 0 0 75 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.855 112.9 49.4 -71.6 -38.2 8.5 11.3 15.2 23 23 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.893 112.8 46.8 -68.9 -39.7 6.5 12.1 18.3 24 24 A R H X S+ 0 0 19 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.871 111.4 52.1 -68.4 -39.5 8.0 9.2 20.3 25 25 A N H < S+ 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.761 115.2 41.3 -67.4 -28.9 11.5 10.1 19.2 26 26 A E H < S+ 0 0 46 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.796 118.3 45.0 -87.8 -34.6 11.0 13.7 20.3 27 27 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.912 96.4 86.5 -77.0 -43.9 9.2 12.9 23.6 28 28 A K S < S- 0 0 61 -4,-2.4 12,-0.2 -5,-0.2 5,-0.1 -0.080 87.9-103.8 -59.5 153.5 11.4 10.1 24.8 29 29 A D - 0 0 17 10,-2.5 10,-0.2 3,-0.2 -1,-0.1 -0.536 33.5-118.3 -73.4 146.4 14.6 10.7 26.8 30 30 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.770 102.8 5.9 -59.5 -26.2 17.7 10.2 24.6 31 31 A S S S+ 0 0 95 8,-0.1 2,-0.2 7,-0.0 -3,-0.0 0.602 95.8 111.0-131.7 -21.1 19.0 7.3 26.7 32 32 A L + 0 0 62 7,-0.2 7,-2.6 6,-0.0 2,-0.3 -0.428 40.6 132.9 -65.7 126.3 16.5 6.3 29.4 33 33 A K E -F 38 0B 78 5,-0.3 2,-0.4 -2,-0.2 226,-0.2 -0.950 39.3-147.8-170.1 152.2 14.8 2.9 28.8 34 34 A a E > S-F 37 0B 2 3,-2.1 3,-1.4 -2,-0.3 227,-0.3 -0.996 83.6 -5.5-131.8 127.6 13.9 -0.4 30.5 35 35 A Y T 3 S- 0 0 14 225,-2.4 227,-0.3 -2,-0.4 226,-0.2 0.824 130.3 -56.2 60.2 34.3 13.9 -3.8 28.7 36 36 A G T 3 S+ 0 0 28 225,-2.5 -1,-0.3 1,-0.2 226,-0.1 0.496 111.8 121.0 79.0 5.2 14.5 -2.1 25.4 37 37 A I E < -F 34 0B 6 -3,-1.4 -3,-2.1 224,-0.1 -1,-0.2 -0.903 65.4-121.9-104.8 121.0 11.5 0.1 25.7 38 38 A P E -F 33 0B 26 0, 0.0 214,-2.4 0, 0.0 2,-0.3 -0.252 26.8-149.7 -61.0 145.7 12.3 3.9 25.7 39 39 A M B -g 252 0C 3 -7,-2.6 -10,-2.5 212,-0.2 214,-0.2 -0.859 17.5-105.2-118.8 151.9 11.2 5.9 28.7 40 40 A L - 0 0 0 212,-2.6 215,-0.2 -2,-0.3 -12,-0.2 -0.325 47.9 -93.4 -70.0 157.7 10.1 9.5 29.0 41 41 A P - 0 0 2 0, 0.0 213,-0.2 0, 0.0 -1,-0.1 -0.250 37.5 -92.8 -76.6 162.1 12.4 12.1 30.6 42 42 A N > - 0 0 42 1,-0.1 3,-2.2 2,-0.1 27,-0.1 -0.376 47.9-103.9 -63.7 147.8 12.8 13.3 34.1 43 43 A T T 3 S+ 0 0 55 1,-0.3 26,-0.1 26,-0.1 -1,-0.1 0.719 117.9 50.2 -49.5 -30.0 10.8 16.5 34.8 44 44 A N T 3 S+ 0 0 88 2,-0.1 2,-0.3 25,-0.0 -1,-0.3 0.251 79.3 112.2 -98.6 15.0 13.8 18.8 34.7 45 45 A T S < S- 0 0 42 -3,-2.2 24,-0.1 2,-0.1 23,-0.1 -0.694 74.5 -97.0 -82.7 136.4 15.2 17.6 31.4 46 46 A N S S+ 0 0 119 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 -0.870 103.6 41.4-107.9 143.9 14.9 20.3 28.8 47 47 A P - 0 0 46 0, 0.0 -2,-0.1 0, 0.0 -45,-0.0 0.610 68.7-171.1 -73.8 155.9 13.0 20.8 26.7 48 48 A K + 0 0 64 -2,-0.1 20,-2.7 -4,-0.1 21,-0.5 0.605 64.0 49.5 -88.5 -9.9 10.1 19.9 29.0 49 49 A Y E - B 0 67A 11 18,-0.3 -47,-0.5 19,-0.1 2,-0.3 -0.753 54.2-163.1-131.0 169.6 7.6 20.0 26.1 50 50 A V E - B 0 66A 0 16,-1.9 16,-2.7 -2,-0.2 2,-0.3 -0.974 19.0-142.1-149.9 134.9 6.8 18.9 22.6 51 51 A L E -aB 3 65A 16 -49,-2.7 -47,-2.6 -2,-0.3 2,-0.5 -0.801 4.5-157.4-103.0 148.7 4.1 20.4 20.3 52 52 A V E -aB 4 64A 0 12,-2.4 12,-2.7 -2,-0.3 2,-0.8 -0.946 6.2-157.6-128.0 105.2 1.8 18.6 17.9 53 53 A E E -aB 5 63A 49 -49,-2.5 -47,-3.2 -2,-0.5 2,-0.9 -0.783 7.2-163.1 -86.9 110.5 0.4 20.6 15.0 54 54 A L E -aB 6 62A 0 8,-2.8 8,-1.6 -2,-0.8 2,-0.9 -0.821 3.5-162.0 -97.4 100.6 -2.7 18.9 13.8 55 55 A Q E -aB 7 61A 63 -49,-2.4 -46,-1.8 -2,-0.9 -47,-1.6 -0.733 15.3-177.3 -88.0 105.3 -3.6 20.3 10.3 56 56 A G - 0 0 11 4,-2.6 4,-0.5 -2,-0.9 3,-0.4 -0.306 32.7 -71.6 -94.8 178.4 -7.2 19.5 9.4 57 57 A S S > S+ 0 0 45 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 -0.241 110.3 32.0 -66.2 158.4 -9.3 20.1 6.3 58 58 A N T 3 S- 0 0 146 1,-0.2 -1,-0.2 -49,-0.0 3,-0.1 0.868 131.4 -67.8 61.0 41.3 -10.5 23.6 5.3 59 59 A K T 3 S+ 0 0 208 -3,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.781 93.5 147.3 51.5 30.8 -7.4 25.3 6.8 60 60 A K < + 0 0 60 -3,-0.9 -4,-2.6 -4,-0.5 2,-0.3 -0.886 20.5 173.3-100.1 117.8 -8.5 24.4 10.3 61 61 A T E -B 55 0A 25 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.932 16.9-176.0-128.4 147.4 -5.5 23.7 12.6 62 62 A I E -B 54 0A 0 -8,-1.6 -8,-2.8 -2,-0.3 2,-0.5 -0.990 13.9-150.0-140.6 131.7 -5.0 23.0 16.3 63 63 A T E -BC 53 77A 20 14,-2.8 14,-2.4 -2,-0.3 2,-0.3 -0.925 9.4-152.3-107.9 126.0 -1.7 22.6 18.1 64 64 A L E -BC 52 76A 1 -12,-2.7 -12,-2.4 -2,-0.5 2,-0.5 -0.758 4.4-148.2 -94.3 140.8 -1.5 20.4 21.2 65 65 A M E -BC 51 75A 0 10,-2.5 9,-2.9 -2,-0.3 10,-0.9 -0.957 19.8-173.3-110.1 122.7 1.1 21.1 23.9 66 66 A L E -BC 50 73A 0 -16,-2.7 -16,-1.9 -2,-0.5 2,-0.5 -0.924 24.9-127.4-118.5 145.4 2.4 17.9 25.6 67 67 A R E >> -B 49 0A 31 5,-2.0 4,-2.4 -2,-0.4 3,-0.6 -0.796 16.9-146.0 -88.7 124.5 4.7 17.5 28.7 68 68 A R T 34 S+ 0 0 13 -20,-2.7 -1,-0.1 -2,-0.5 -19,-0.1 0.827 91.3 66.1 -59.1 -37.4 7.5 15.2 27.7 69 69 A N T 34 S+ 0 0 34 -21,-0.5 185,-1.1 1,-0.2 -1,-0.2 0.839 128.6 1.0 -55.5 -39.0 7.7 13.6 31.2 70 70 A N T <4 S- 0 0 27 -3,-0.6 -2,-0.2 183,-0.1 -1,-0.2 0.357 91.0-122.1-133.7 3.3 4.3 12.0 31.1 71 71 A L < + 0 0 0 -4,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.641 56.2 155.4 61.2 17.8 2.9 12.9 27.6 72 72 A Y - 0 0 106 -5,-0.4 -5,-2.0 1,-0.1 2,-0.5 -0.508 49.4-117.1 -75.4 142.3 -0.1 14.6 29.1 73 73 A V E -C 66 0A 7 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.715 28.5-174.0 -80.0 121.5 -1.8 17.2 27.0 74 74 A M E - 0 0 0 -9,-2.9 16,-2.3 -2,-0.5 2,-0.3 0.629 58.1 -59.4 -90.9 -19.6 -1.5 20.5 28.9 75 75 A G E -CD 65 89A 0 -10,-0.9 -10,-2.5 14,-0.2 -1,-0.4 -0.947 53.2-117.2 162.0-171.7 -3.7 22.5 26.5 76 76 A Y E -CD 64 88A 0 12,-2.0 12,-2.7 -2,-0.3 2,-0.3 -0.982 7.6-140.7-154.3 165.8 -3.9 23.6 22.9 77 77 A S E -CD 63 87A 8 -14,-2.4 -14,-2.8 -2,-0.3 10,-0.2 -0.908 10.1-170.2-129.2 155.2 -3.8 26.6 20.5 78 78 A D E - D 0 86A 1 8,-2.0 8,-2.3 -2,-0.3 2,-0.3 -0.998 37.8-101.9-143.2 141.2 -5.7 27.5 17.4 79 79 A P E - D 0 85A 82 0, 0.0 2,-0.4 0, 0.0 75,-0.2 -0.518 53.3-162.3 -63.0 126.0 -5.2 30.3 14.8 80 80 A F E > - D 0 84A 16 4,-2.6 4,-1.9 -2,-0.3 75,-0.1 -0.924 30.4 -43.0-122.7 147.3 -7.9 32.7 15.9 81 81 A E T 4 S- 0 0 115 -2,-0.4 5,-0.0 73,-0.4 74,-0.0 -0.062 115.6 -6.4 43.9-135.2 -9.7 35.7 14.3 82 82 A T T 4 S- 0 0 114 1,-0.2 -1,-0.1 -3,-0.0 0, 0.0 0.952 132.2 -39.3 -49.1 -85.8 -7.5 38.1 12.5 83 83 A N T 4 S+ 0 0 125 28,-0.1 -2,-0.2 2,-0.0 -1,-0.2 -0.078 99.9 133.0-140.2 30.4 -3.9 36.9 13.1 84 84 A K E < -D 80 0A 67 -4,-1.9 -4,-2.6 28,-0.0 2,-0.6 -0.387 51.6-136.6 -87.9 161.0 -4.2 35.9 16.7 85 85 A b E -De 79 112A 28 26,-1.7 28,-2.9 -6,-0.2 2,-0.6 -0.983 18.3-157.3-117.5 111.1 -3.1 32.8 18.5 86 86 A R E -De 78 113A 6 -8,-2.3 -8,-2.0 -2,-0.6 2,-0.4 -0.868 9.7-164.1 -95.0 116.8 -5.8 31.6 20.9 87 87 A Y E -De 77 114A 24 26,-2.6 28,-2.2 -2,-0.6 2,-0.5 -0.838 5.5-162.1-102.5 141.9 -4.3 29.4 23.7 88 88 A H E -D 76 0A 0 -12,-2.7 -12,-2.0 -2,-0.4 2,-0.4 -0.956 6.2-163.3-126.5 112.0 -6.4 27.1 25.9 89 89 A I E -D 75 0A 7 -2,-0.5 28,-2.4 -14,-0.2 -14,-0.2 -0.780 24.7-113.1 -99.6 137.7 -4.9 25.8 29.2 90 90 A F B > -h 117 0D 0 -16,-2.3 3,-2.0 -2,-0.4 30,-0.2 -0.359 24.2-119.9 -65.7 142.7 -6.3 22.9 31.1 91 91 A N T 3 S+ 0 0 87 28,-1.7 29,-0.2 26,-0.6 -1,-0.1 0.722 111.7 60.7 -54.4 -24.8 -7.9 23.6 34.5 92 92 A D T 3 S+ 0 0 68 27,-0.3 2,-0.5 -18,-0.1 -1,-0.3 0.143 78.2 101.5 -93.1 16.6 -5.4 21.3 36.0 93 93 A I < + 0 0 4 -3,-2.0 2,-0.3 -19,-0.1 -4,-0.0 -0.909 53.5 177.4-101.3 129.1 -2.3 23.2 35.0 94 94 A S > - 0 0 33 -2,-0.5 3,-1.1 212,-0.0 4,-0.3 -0.803 32.7 -2.5-128.2 171.1 -0.8 25.3 37.8 95 95 A G T >> S- 0 0 62 -2,-0.3 3,-1.3 1,-0.2 4,-0.6 -0.152 121.3 -9.7 55.4-138.7 2.0 27.6 38.6 96 96 A T H 3> S+ 0 0 108 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.749 125.7 71.2 -65.0 -26.3 4.8 28.4 36.2 97 97 A E H <> S+ 0 0 50 -3,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.782 92.4 60.5 -62.7 -23.9 3.5 25.6 33.8 98 98 A R H <> S+ 0 0 72 -3,-1.3 4,-1.5 -4,-0.3 -1,-0.2 0.868 106.4 41.6 -70.5 -41.9 0.6 27.9 33.1 99 99 A Q H X S+ 0 0 98 -4,-0.6 4,-2.9 -3,-0.5 5,-0.2 0.766 111.9 60.7 -75.5 -23.2 2.7 30.8 31.7 100 100 A D H X S+ 0 0 49 -4,-1.7 4,-1.9 2,-0.2 5,-0.3 0.856 102.9 47.7 -68.6 -39.8 4.6 28.1 29.9 101 101 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 5,-0.4 0.939 115.0 48.4 -66.5 -42.4 1.6 26.9 28.0 102 102 A E H X S+ 0 0 35 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.941 118.1 36.8 -60.9 -54.7 0.9 30.5 27.1 103 103 A T H < S+ 0 0 53 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.735 118.7 49.4 -74.7 -25.7 4.4 31.4 26.0 104 104 A T H < S+ 0 0 31 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.932 117.6 37.5 -79.3 -47.7 5.2 28.1 24.3 105 105 A L H < S+ 0 0 14 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.932 132.3 27.5 -68.9 -46.0 2.0 27.7 22.3 106 106 A b < + 0 0 2 -4,-1.9 -1,-0.3 -5,-0.4 6,-0.1 -0.705 67.1 174.0-119.9 81.2 1.8 31.4 21.4 107 107 A P + 0 0 106 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.713 61.1 84.6 -60.5 -21.9 5.3 32.9 21.4 108 108 A N >> - 0 0 90 1,-0.2 3,-0.6 2,-0.1 4,-0.5 -0.749 59.2-171.2 -87.0 107.8 4.1 36.3 20.2 109 109 A A T 34 S+ 0 0 69 -2,-0.9 3,-0.2 1,-0.2 -1,-0.2 0.719 81.4 62.7 -69.9 -22.2 3.0 38.2 23.2 110 110 A N T 34 S+ 0 0 154 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.760 113.0 29.8 -77.2 -24.5 1.5 40.9 21.1 111 111 A S T <4 S+ 0 0 27 -3,-0.6 -26,-1.7 -5,-0.1 2,-0.2 0.298 89.8 113.5-121.8 13.7 -1.1 38.7 19.3 112 112 A R E < -e 85 0A 47 -4,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.567 38.6-171.7 -91.2 148.5 -2.1 36.0 21.7 113 113 A V E -e 86 0A 53 -28,-2.9 -26,-2.6 -2,-0.2 2,-0.3 -0.990 15.9-127.6-137.2 145.9 -5.5 35.5 23.3 114 114 A S E +e 87 0A 57 -2,-0.3 2,-0.2 -28,-0.2 -26,-0.2 -0.744 27.3 164.5-101.4 142.9 -6.7 33.2 26.1 115 115 A K - 0 0 63 -28,-2.2 -2,-0.0 -2,-0.3 -29,-0.0 -0.709 31.1-144.4-151.9 91.8 -9.7 30.8 26.2 116 116 A N - 0 0 61 -28,-0.2 2,-0.9 -2,-0.2 -26,-0.2 -0.116 15.2-124.3 -58.2 153.5 -9.3 28.4 29.2 117 117 A I B -h 90 0D 1 -28,-2.4 -26,-0.6 1,-0.1 -1,-0.1 -0.923 28.6-150.8 -97.1 106.3 -10.4 24.8 29.2 118 118 A N + 0 0 105 -2,-0.9 2,-0.3 -28,-0.1 -1,-0.1 0.143 69.6 51.8 -73.2 23.1 -12.7 25.1 32.2 119 119 A F S S- 0 0 6 401,-0.0 -28,-1.7 41,-0.0 -27,-0.3 -0.954 87.2-101.2-151.9 158.2 -12.3 21.5 33.4 120 120 A D - 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0 0 36 -3,-1.9 -1,-0.2 1,-0.2 3,-0.1 -0.722 49.2-154.1 -89.5 120.2 -14.6 29.3 16.3 156 156 A M S S+ 0 0 125 -2,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.945 78.4 25.7 -51.5 -61.8 -15.3 31.9 19.0 157 157 A S + 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.914 65.5 156.5-116.2 136.6 -17.9 30.0 21.0 158 158 A F - 0 0 35 -2,-0.4 -6,-0.1 -3,-0.1 2,-0.0 -0.965 40.9-103.2-150.8 149.0 -18.3 26.3 21.2 159 159 A T > - 0 0 86 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.291 26.6-115.9 -74.3 159.0 -19.9 24.1 23.9 160 160 A E H > S+ 0 0 78 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.818 117.5 57.0 -62.6 -31.1 -17.9 22.1 26.6 161 161 A K H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 107.4 47.3 -65.1 -44.0 -19.4 18.9 25.0 162 162 A T H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.920 114.3 46.4 -62.8 -45.9 -17.9 19.9 21.7 163 163 A E H X S+ 0 0 9 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.912 111.0 53.1 -64.8 -40.0 -14.5 20.7 23.3 164 164 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.844 107.7 49.8 -64.2 -38.6 -14.5 17.4 25.3 165 165 A E H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.885 111.4 49.3 -69.9 -37.5 -15.1 15.2 22.3 166 166 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.2 5,-0.3 0.958 114.0 45.7 -64.2 -49.3 -12.3 17.0 20.5 167 167 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.905 111.7 52.1 -59.4 -44.2 -10.0 16.4 23.5 168 168 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.938 115.7 40.1 -58.5 -49.8 -11.1 12.8 23.9 169 169 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.925 118.2 46.4 -66.0 -48.8 -10.4 11.9 20.3 170 170 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 -5,-0.2 5,-0.5 0.907 112.0 49.6 -64.0 -43.5 -7.1 14.0 20.0 171 171 A I H X>S+ 0 0 13 -4,-2.7 5,-2.2 -5,-0.3 4,-0.9 0.947 116.0 43.6 -60.7 -45.6 -5.6 12.7 23.3 172 172 A Q H <>S+ 0 0 1 -4,-1.7 5,-0.7 -5,-0.3 -2,-0.2 0.849 117.1 43.7 -70.4 -36.6 -6.3 9.1 22.4 173 173 A M H <5S+ 0 0 1 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.682 130.1 25.7 -84.9 -14.8 -5.1 9.3 18.8 174 174 A V H X5S+ 0 0 1 -4,-1.7 4,-1.7 -5,-0.2 -3,-0.2 0.806 131.3 25.7-109.4 -68.7 -2.1 11.3 19.7 175 175 A S H X5S+ 0 0 0 -4,-0.9 4,-1.9 -5,-0.5 -3,-0.2 0.958 127.3 42.3 -65.9 -50.8 -0.9 10.8 23.3 176 176 A E H > S+ 0 0 70 67,-1.2 4,-2.8 -2,-0.5 5,-0.2 0.894 96.9 60.2 -63.1 -40.1 1.8 0.3 19.8 182 182 A Y H > S+ 0 0 33 66,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.908 105.6 46.4 -53.8 -47.1 -1.5 -1.6 20.3 183 183 A I H > S+ 0 0 3 65,-0.4 4,-1.8 -7,-0.3 -1,-0.2 0.858 110.3 52.1 -65.9 -38.5 -3.5 1.6 20.1 184 184 A E H X S+ 0 0 4 -4,-1.7 4,-2.3 -7,-0.4 -2,-0.2 0.945 110.4 50.1 -61.8 -46.4 -1.6 2.9 17.1 185 185 A N H X S+ 0 0 71 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.793 105.4 56.1 -62.6 -31.5 -2.4 -0.5 15.4 186 186 A Q H X S+ 0 0 40 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.918 110.2 45.3 -66.0 -42.9 -6.1 -0.1 16.3 187 187 A V H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 112.5 50.9 -66.4 -42.1 -6.2 3.2 14.5 188 188 A K H >< S+ 0 0 68 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.849 107.6 53.4 -64.7 -37.5 -4.3 1.8 11.5 189 189 A T H 3< S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.838 120.5 32.4 -66.0 -34.8 -6.6 -1.1 11.2 190 190 A N T >< S+ 0 0 20 -4,-1.4 3,-2.1 1,-0.2 -1,-0.2 -0.035 81.7 136.1-112.3 32.3 -9.7 1.2 11.1 191 191 A F T < S+ 0 0 12 -3,-1.0 -49,-0.4 1,-0.3 -48,-0.2 0.746 72.5 42.3 -52.2 -33.2 -7.8 4.0 9.3 192 192 A N T 3 S+ 0 0 142 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.315 117.8 40.7-101.5 11.9 -10.6 4.7 6.8 193 193 A R S < S- 0 0 144 -3,-2.1 -51,-0.4 -50,-0.0 2,-0.3 -0.826 84.5 -92.8-145.9 177.7 -13.5 4.5 9.2 194 194 A A - 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