==== 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 05-MAY-99 1QCI . 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) . 21852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 71.6 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 . 72 13.7 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 . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 0 0 0 3 2 3 2 0 0 0 2 0 0 0 1 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 . 5 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 83 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 121.0 10.7 23.0 21.6 2 2 A N - 0 0 90 47,-0.4 49,-2.3 24,-0.1 2,-0.4 -0.767 360.0-144.2-100.1 142.3 10.2 21.1 18.4 3 3 A T E -a 51 0A 67 -2,-0.3 2,-0.5 47,-0.2 49,-0.2 -0.927 1.8-148.1-112.8 132.9 6.7 20.8 16.7 4 4 A I E -a 52 0A 16 47,-2.9 49,-3.0 -2,-0.4 2,-0.5 -0.872 16.5-149.8 -95.9 124.9 5.5 17.7 14.9 5 5 A I E +a 53 0A 95 -2,-0.5 2,-0.4 47,-0.2 49,-0.2 -0.892 16.7 179.3-103.3 127.5 3.1 18.7 12.0 6 6 A Y E -a 54 0A 7 47,-3.0 49,-2.6 -2,-0.5 2,-0.7 -0.982 21.5-143.8-130.7 119.1 0.3 16.2 11.0 7 7 A N E +a 55 0A 66 -2,-0.4 49,-0.2 47,-0.2 47,-0.1 -0.739 21.6 174.3 -81.9 110.1 -2.2 16.9 8.2 8 8 A V S S+ 0 0 4 47,-2.0 3,-0.3 -2,-0.7 48,-0.2 0.869 73.2 63.4 -83.7 -40.9 -5.5 15.5 9.4 9 9 A G S S+ 0 0 32 46,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.686 118.1 23.0 -58.1 -21.5 -7.5 16.8 6.5 10 10 A S S S+ 0 0 73 45,-0.3 2,-0.3 2,-0.1 -1,-0.2 -0.793 88.4 121.5-152.8 103.8 -5.5 14.7 4.0 11 11 A T - 0 0 30 -3,-0.3 2,-0.3 -2,-0.3 -3,-0.1 -0.889 39.3-141.0-150.6-179.2 -3.6 11.6 5.1 12 12 A T > - 0 0 58 -2,-0.3 4,-2.2 1,-0.0 5,-0.1 -0.841 42.2-101.1-139.8 170.2 -3.0 7.9 4.7 13 13 A I H > S+ 0 0 88 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.792 124.5 57.8 -67.2 -25.5 -2.2 5.2 7.3 14 14 A S H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.851 106.3 46.4 -71.4 -38.3 1.4 5.6 6.2 15 15 A K H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.2 52.0 -72.4 -39.0 1.4 9.3 7.1 16 16 A Y H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.910 108.9 51.0 -63.1 -41.4 -0.2 8.6 10.5 17 17 A A H X S+ 0 0 26 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.864 110.9 48.6 -62.7 -39.2 2.4 6.0 11.3 18 18 A T H X S+ 0 0 74 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.881 108.9 53.8 -66.6 -43.8 5.2 8.5 10.4 19 19 A F H >X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 3,-0.6 0.981 111.4 43.3 -55.3 -58.6 3.6 11.2 12.5 20 20 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.826 112.4 55.9 -57.8 -33.4 3.5 8.9 15.6 21 21 A N H 3X S+ 0 0 76 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.3 0.868 109.2 44.8 -66.7 -40.0 7.0 7.8 14.8 22 22 A D H S-F 37 0B 1 3,-2.4 3,-1.8 -2,-0.3 227,-0.3 -0.986 80.0 -12.3-126.3 125.5 13.9 -0.9 29.2 35 35 A Y T 3 S- 0 0 11 225,-2.9 227,-0.3 -2,-0.4 226,-0.2 0.870 130.0 -52.0 56.5 38.8 13.7 -4.2 27.4 36 36 A G T 3 S+ 0 0 30 225,-2.6 -1,-0.3 1,-0.2 226,-0.1 0.479 113.7 118.9 79.4 1.1 14.0 -2.5 24.0 37 37 A I E < -F 34 0B 4 -3,-1.8 -3,-2.4 224,-0.2 -1,-0.2 -0.890 65.8-125.9-103.7 120.2 11.1 -0.1 24.8 38 38 A P E -F 33 0B 25 0, 0.0 214,-2.5 0, 0.0 2,-0.3 -0.363 25.1-144.8 -63.9 143.3 12.1 3.6 24.8 39 39 A M B -g 252 0C 3 -7,-2.5 -10,-2.4 -10,-0.3 214,-0.2 -0.866 15.1-109.4-113.4 146.0 11.2 5.5 28.0 40 40 A L - 0 0 0 212,-2.8 215,-0.2 -2,-0.3 -12,-0.2 -0.241 47.9 -91.4 -65.2 160.4 10.1 9.1 28.4 41 41 A P - 0 0 2 0, 0.0 213,-0.2 0, 0.0 -1,-0.1 -0.235 34.0 -97.4 -80.8 163.7 12.5 11.6 30.0 42 42 A N > - 0 0 43 1,-0.1 3,-1.7 213,-0.1 27,-0.1 -0.345 42.8-109.7 -64.1 151.8 13.1 12.7 33.6 43 43 A T T 3 S+ 0 0 58 1,-0.3 -1,-0.1 26,-0.1 26,-0.1 0.662 116.4 63.1 -62.5 -15.7 11.3 16.0 34.4 44 44 A N T 3 S+ 0 0 83 2,-0.1 -1,-0.3 25,-0.0 2,-0.2 0.592 80.9 104.7 -84.8 -13.2 14.7 17.7 34.5 45 45 A T S < S- 0 0 43 -3,-1.7 24,-0.1 3,-0.1 23,-0.1 -0.448 71.6-101.8 -76.2 140.0 15.5 17.0 30.8 46 46 A N S S+ 0 0 119 -2,-0.2 2,-0.2 2,-0.1 -2,-0.1 -0.891 99.7 38.8-114.0 142.7 15.2 19.8 28.2 47 47 A P - 0 0 46 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.655 69.7-171.4 -71.1 166.3 13.3 20.4 26.3 48 48 A K + 0 0 63 -2,-0.2 20,-2.5 20,-0.1 21,-0.5 0.579 64.9 45.9 -98.7 -10.8 10.5 19.6 28.6 49 49 A Y E - B 0 67A 12 18,-0.2 -47,-0.4 19,-0.1 2,-0.3 -0.743 55.0-163.1-130.1 173.3 7.9 19.9 25.9 50 50 A V E - B 0 66A 0 16,-1.6 16,-2.5 -2,-0.2 2,-0.3 -0.951 18.7-139.9-156.0 132.3 7.0 19.0 22.3 51 51 A L E -aB 3 65A 17 -49,-2.3 -47,-2.9 -2,-0.3 2,-0.4 -0.734 6.2-158.8 -98.2 151.9 4.3 20.6 20.1 52 52 A V E -aB 4 64A 0 12,-2.2 12,-3.0 -2,-0.3 2,-0.7 -0.951 6.8-157.0-132.7 106.2 1.9 18.8 17.8 53 53 A E E -aB 5 63A 49 -49,-3.0 -47,-3.0 -2,-0.4 2,-0.8 -0.797 5.9-160.3 -88.7 116.1 0.4 20.9 15.0 54 54 A L E -aB 6 62A 0 8,-2.9 8,-1.6 -2,-0.7 2,-1.0 -0.863 3.1-159.5 -98.7 105.9 -2.9 19.3 13.8 55 55 A Q E -aB 7 61A 66 -49,-2.6 -47,-2.0 -2,-0.8 -46,-1.8 -0.753 17.2-176.2 -90.6 99.9 -3.8 20.6 10.3 56 56 A G > - 0 0 9 4,-2.3 3,-0.5 -2,-1.0 4,-0.3 -0.082 32.7 -70.4 -82.1-172.9 -7.5 20.1 9.7 57 57 A S T 3 S+ 0 0 39 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 -0.390 111.1 27.0 -80.3 156.9 -9.6 20.7 6.7 58 58 A N T 3 S- 0 0 153 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.784 132.2 -65.8 61.1 34.9 -10.6 24.2 5.5 59 59 A K S < S+ 0 0 190 -3,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.896 93.1 146.4 55.2 44.3 -7.5 25.7 7.0 60 60 A K + 0 0 69 -3,-0.5 -4,-2.3 -4,-0.3 2,-0.3 -0.966 22.4 175.8-110.1 117.9 -8.5 24.9 10.6 61 61 A T E -B 55 0A 23 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.872 18.6-172.8-126.3 155.1 -5.6 24.1 12.8 62 62 A I E -B 54 0A 0 -8,-1.6 -8,-2.9 -2,-0.3 2,-0.5 -0.969 14.1-148.1-145.7 129.1 -5.0 23.4 16.5 63 63 A T E -BC 53 77A 21 14,-2.6 14,-2.3 -2,-0.3 2,-0.4 -0.919 11.4-152.2-104.8 126.7 -1.6 23.0 18.2 64 64 A L E -BC 52 76A 0 -12,-3.0 -12,-2.2 -2,-0.5 2,-0.6 -0.798 2.8-148.9 -97.9 135.5 -1.2 20.6 21.1 65 65 A M E -BC 51 75A 0 10,-2.8 9,-2.7 -2,-0.4 10,-1.0 -0.914 19.2-173.2-106.0 122.8 1.3 21.1 23.9 66 66 A L E -BC 50 73A 0 -16,-2.5 -16,-1.6 -2,-0.6 2,-0.5 -0.930 24.4-129.8-120.0 141.1 2.6 17.8 25.4 67 67 A R E >> -B 49 0A 35 5,-2.2 4,-2.1 -2,-0.4 3,-0.5 -0.756 15.7-148.4 -85.1 124.7 4.9 17.3 28.4 68 68 A R T 34 S+ 0 0 11 -20,-2.5 -1,-0.1 -2,-0.5 -19,-0.1 0.867 90.3 67.3 -62.1 -38.0 7.7 14.9 27.3 69 69 A N T 34 S- 0 0 34 -21,-0.5 185,-1.2 1,-0.2 -1,-0.2 0.837 128.9 -0.4 -51.5 -40.8 8.0 13.4 30.8 70 70 A N T <4 S- 0 0 25 -3,-0.5 -1,-0.2 183,-0.1 -2,-0.2 0.303 92.6-118.9-135.1 7.1 4.5 11.7 30.7 71 71 A L < + 0 0 0 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.634 56.8 158.4 61.5 16.2 3.1 12.7 27.3 72 72 A Y - 0 0 106 -5,-0.3 -5,-2.2 1,-0.1 2,-0.7 -0.404 47.1-120.6 -70.8 146.6 0.2 14.5 28.8 73 73 A V E -C 66 0A 6 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.824 29.6-177.8 -88.2 114.5 -1.6 17.2 26.8 74 74 A M E - 0 0 0 -9,-2.7 16,-2.5 -2,-0.7 2,-0.3 0.683 58.6 -51.4 -86.6 -23.7 -1.2 20.4 28.9 75 75 A G E -CD 65 89A 0 -10,-1.0 -10,-2.8 14,-0.2 -1,-0.3 -0.969 51.6-124.3 169.7-177.3 -3.2 22.6 26.5 76 76 A Y E -CD 64 88A 0 12,-1.8 12,-2.4 -2,-0.3 2,-0.3 -0.962 9.0-146.8-149.5 167.6 -3.7 23.7 23.0 77 77 A S E -CD 63 87A 5 -14,-2.3 -14,-2.6 -2,-0.3 10,-0.2 -0.919 7.2-166.1-136.5 160.2 -3.8 26.8 20.8 78 78 A D E - D 0 86A 1 8,-1.8 8,-2.2 -2,-0.3 2,-0.2 -0.997 36.1 -98.6-146.6 145.1 -5.7 27.8 17.6 79 79 A P E - D 0 85A 80 0, 0.0 2,-0.4 0, 0.0 75,-0.3 -0.479 52.9-168.0 -63.9 129.2 -5.3 30.7 15.2 80 80 A F E > - D 0 84A 18 4,-2.4 4,-1.9 -2,-0.2 75,-0.1 -0.952 35.3 -33.1-129.2 149.3 -7.8 33.2 16.3 81 81 A E T 4 S- 0 0 116 -2,-0.4 5,-0.0 73,-0.2 74,-0.0 -0.109 114.1 -24.2 44.4-137.7 -9.3 36.4 14.9 82 82 A T T 4 S- 0 0 116 1,-0.1 -1,-0.1 -3,-0.0 0, 0.0 0.997 132.3 -22.7 -65.2 -79.7 -6.9 38.4 12.7 83 83 A N T 4 S+ 0 0 116 -4,-0.1 2,-0.2 2,-0.0 -2,-0.2 -0.102 101.7 130.0-127.3 32.3 -3.4 37.5 13.7 84 84 A K E < -D 80 0A 67 -4,-1.9 -4,-2.4 28,-0.1 2,-0.5 -0.503 47.8-148.5 -90.7 157.1 -4.1 36.3 17.2 85 85 A b E -De 79 112A 27 26,-1.7 28,-2.4 -6,-0.2 2,-0.6 -0.973 14.5-156.7-125.4 109.0 -3.0 33.0 18.9 86 86 A R E -De 78 113A 6 -8,-2.2 -8,-1.8 -2,-0.5 2,-0.3 -0.809 8.2-161.9 -93.6 118.6 -5.5 31.8 21.4 87 87 A Y E -De 77 114A 26 26,-2.7 28,-2.4 -2,-0.6 2,-0.5 -0.815 5.9-163.1-102.1 143.6 -4.0 29.5 24.1 88 88 A H E -D 76 0A 0 -12,-2.4 -12,-1.8 -2,-0.3 2,-0.3 -0.955 8.4-162.7-128.7 108.1 -6.1 27.1 26.3 89 89 A I E -D 75 0A 6 -2,-0.5 28,-2.5 -14,-0.2 -14,-0.2 -0.741 25.4-111.3 -94.9 140.9 -4.5 25.8 29.4 90 90 A F B > -h 117 0D 0 -16,-2.5 3,-2.2 -2,-0.3 30,-0.2 -0.478 23.1-123.4 -70.2 138.4 -5.8 22.8 31.3 91 91 A N T 3 S+ 0 0 73 28,-1.7 29,-0.2 26,-0.9 -1,-0.1 0.787 110.5 61.4 -49.7 -31.1 -7.3 23.6 34.7 92 92 A D T 3 S+ 0 0 59 27,-0.4 2,-0.5 2,-0.1 -1,-0.3 0.229 77.8 103.0 -86.6 12.9 -4.9 21.0 36.1 93 93 A I < - 0 0 5 -3,-2.2 2,-0.3 -19,-0.1 -4,-0.0 -0.865 56.0-170.1 -97.3 130.0 -1.7 22.9 35.0 94 94 A S > - 0 0 24 -2,-0.5 3,-1.1 212,-0.0 4,-0.1 -0.890 32.1 -19.0-126.3 156.6 -0.1 24.7 37.9 95 95 A G T >> S- 0 0 54 -2,-0.3 3,-1.0 1,-0.2 4,-0.5 -0.296 120.5 -3.5 62.6-134.5 2.7 27.2 38.7 96 96 A T H >> S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 3,-1.0 0.785 125.1 69.2 -64.3 -30.0 5.4 28.0 36.2 97 97 A E H <> S+ 0 0 47 -3,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.803 92.5 60.4 -59.6 -28.0 4.1 25.3 33.8 98 98 A R H <> S+ 0 0 64 -3,-1.0 4,-1.5 2,-0.2 -1,-0.3 0.803 107.3 43.6 -67.8 -33.5 1.1 27.6 33.2 99 99 A Q H > - 0 0 83 1,-0.2 3,-1.1 -3,-0.1 4,-0.9 -0.734 60.1-169.8 -90.4 97.6 4.3 36.3 20.4 109 109 A A T 34 S+ 0 0 68 -2,-1.1 -1,-0.2 1,-0.2 3,-0.1 0.758 83.5 58.1 -55.6 -26.1 3.5 38.1 23.7 110 110 A N T 34 S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.783 111.9 33.3 -78.9 -28.7 1.8 40.8 21.7 111 111 A S T <4 S+ 0 0 17 -3,-1.1 -26,-1.7 -5,-0.1 2,-0.3 0.374 86.4 116.7-112.4 6.5 -0.9 38.8 19.8 112 112 A R E < -e 85 0A 49 -4,-0.9 2,-0.3 -28,-0.2 -26,-0.2 -0.570 39.5-169.3 -85.5 136.6 -1.8 36.0 22.2 113 113 A V E -e 86 0A 46 -28,-2.4 -26,-2.7 -2,-0.3 2,-0.4 -0.913 15.4-131.6-119.0 146.3 -5.3 35.6 23.7 114 114 A S E +e 87 0A 54 -2,-0.3 -26,-0.2 -28,-0.2 2,-0.2 -0.835 29.3 163.5-106.8 141.0 -6.4 33.3 26.5 115 115 A K - 0 0 55 -28,-2.4 -2,-0.0 -2,-0.4 -29,-0.0 -0.694 30.5-149.1-151.6 83.5 -9.3 30.9 26.7 116 116 A N - 0 0 52 -28,-0.2 2,-1.0 -2,-0.2 -26,-0.2 -0.202 17.6-119.7 -56.9 147.4 -8.7 28.5 29.6 117 117 A I B -h 90 0D 0 -28,-2.5 2,-1.2 1,-0.1 -26,-0.9 -0.828 27.0-150.3 -89.8 104.7 -10.0 25.0 29.6 118 118 A N + 0 0 108 -2,-1.0 2,-0.3 -28,-0.1 -1,-0.1 -0.083 69.9 49.7 -75.1 39.8 -12.2 25.2 32.7 119 119 A F S S- 0 0 6 -2,-1.2 -28,-1.7 401,-0.0 -27,-0.4 -0.959 87.5 -95.6-164.7 160.7 -11.8 21.5 33.7 120 120 A D - 0 0 8 -2,-0.3 -2,-0.0 -29,-0.2 -29,-0.0 -0.269 30.6-112.8 -81.5 176.0 -9.0 19.0 34.2 121 121 A S S S+ 0 0 17 4,-0.1 2,-0.2 -2,-0.1 -48,-0.1 0.273 70.8 123.9 -92.0 7.1 -7.6 16.5 31.7 122 122 A R >> - 0 0 52 1,-0.1 4,-2.4 4,-0.0 3,-0.8 -0.500 67.4-125.2 -71.2 138.6 -8.8 13.3 33.5 123 123 A Y H 3> S+ 0 0 31 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.881 109.0 55.4 -51.7 -43.7 -10.9 11.0 31.4 124 124 A P H 3> S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.876 110.7 46.1 -61.9 -32.0 -13.8 10.9 33.9 125 125 A T H <> S+ 0 0 14 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.925 114.5 46.7 -71.1 -46.9 -14.0 14.7 33.8 126 126 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.943 113.1 49.7 -60.0 -45.7 -13.8 14.7 30.0 127 127 A E H X>S+ 0 0 16 -4,-3.4 5,-2.4 1,-0.2 4,-1.1 0.926 110.8 50.0 -59.8 -44.8 -16.5 12.0 29.8 128 128 A S H <5S+ 0 0 84 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.902 112.6 45.9 -61.0 -43.0 -18.7 13.9 32.2 129 129 A K H <5S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.6 53.6 -68.4 -35.3 -18.3 17.1 30.1 130 130 A A H <5S- 0 0 4 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.703 115.8-121.0 -71.0 -19.5 -18.9 15.1 26.9 131 131 A G T <5S+ 0 0 65 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.730 71.3 118.0 84.9 25.6 -22.1 13.9 28.6 132 132 A V < - 0 0 32 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.803 66.1-135.8-121.7 162.5 -21.3 10.2 28.4 133 133 A K S S+ 0 0 169 1,-0.3 2,-0.3 -2,-0.3 -5,-0.1 0.760 93.8 11.4 -86.0 -26.0 -20.7 7.4 31.0 134 134 A S > - 0 0 34 -7,-0.1 3,-2.0 -6,-0.0 -1,-0.3 -0.993 68.4-124.1-153.2 145.8 -17.7 6.2 29.1 135 135 A R G > S+ 0 0 8 -2,-0.3 3,-1.1 1,-0.3 -1,-0.0 0.531 103.6 81.3 -66.1 -5.5 -15.4 7.4 26.3 136 136 A S G 3 S+ 0 0 43 1,-0.3 -1,-0.3 60,-0.1 66,-0.0 0.777 86.8 57.7 -70.0 -23.6 -16.3 4.0 24.6 137 137 A Q G < S+ 0 0 81 -3,-2.0 2,-0.7 59,-0.1 -1,-0.3 0.526 92.4 81.7 -81.7 -10.9 -19.5 5.8 23.6 138 138 A V S < S- 0 0 14 -3,-1.1 2,-0.1 -4,-0.1 -1,-0.1 -0.889 80.6-136.8-102.0 112.2 -17.4 8.4 21.8 139 139 A Q - 0 0 83 -2,-0.7 2,-0.2 57,-0.1 57,-0.2 -0.415 12.5-151.1 -71.2 141.6 -16.3 7.3 18.4 140 140 A L B +I 195 0E 4 55,-3.0 55,-2.2 -2,-0.1 2,-0.2 -0.643 31.7 132.0-103.5 164.4 -12.7 8.0 17.2 141 141 A G > - 0 0 2 -2,-0.2 4,-2.6 53,-0.2 5,-0.2 -0.721 61.8-102.8 157.8 152.8 -11.7 8.5 13.6 142 142 A I H > S+ 0 0 15 49,-0.5 4,-2.4 51,-0.3 5,-0.1 0.902 122.2 45.1 -62.2 -45.6 -9.7 10.7 11.3 143 143 A Q H > S+ 0 0 87 48,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.800 112.8 53.1 -69.8 -26.8 -12.7 12.5 9.9 144 144 A I H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.937 110.4 46.2 -71.7 -45.2 -14.1 12.8 13.5 145 145 A L H X S+ 0 0 3 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.918 114.0 49.2 -60.9 -45.0 -10.8 14.4 14.6 146 146 A D H X S+ 0 0 32 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.927 111.2 49.9 -59.9 -45.7 -10.9 16.7 11.6 147 147 A S H X S+ 0 0 61 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.814 109.8 50.0 -63.5 -36.9 -14.5 17.6 12.3 148 148 A N H X S+ 0 0 8 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.810 106.1 56.2 -73.7 -30.8 -13.8 18.4 16.0 149 149 A I H >X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 3,-1.1 0.923 106.4 51.7 -64.9 -42.2 -10.8 20.7 15.0 150 150 A G H 3< S+ 0 0 26 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.717 104.0 56.6 -68.5 -22.2 -13.2 22.6 12.8 151 151 A K H 3< S+ 0 0 89 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.625 122.1 25.2 -83.1 -13.9 -15.7 23.1 15.6 152 152 A I H X< S+ 0 0 0 -3,-1.1 3,-1.9 -4,-0.6 -2,-0.2 0.747 92.9 96.5-116.1 -46.1 -13.0 24.8 17.8 153 153 A S T 3< S- 0 0 4 -4,-3.0 3,-0.1 1,-0.3 -91,-0.1 -0.310 109.9 -9.9 -56.1 118.1 -10.3 26.3 15.6 154 154 A G T 3 S+ 0 0 38 -75,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.483 100.5 131.3 71.8 2.4 -11.1 30.0 15.2 155 155 A V < - 0 0 36 -3,-1.9 -1,-0.2 1,-0.2 -4,-0.0 -0.800 52.3-144.2 -93.9 125.7 -14.5 29.8 16.7 156 156 A M S S+ 0 0 139 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.2 0.948 78.2 13.1 -47.8 -72.9 -15.3 32.4 19.4 157 157 A S + 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.837 65.9 171.0-112.2 150.5 -17.5 30.4 21.8 158 158 A F - 0 0 27 -2,-0.3 -6,-0.0 -3,-0.0 5,-0.0 -0.959 35.9-100.3-157.5 137.9 -18.0 26.7 22.0 159 159 A T > - 0 0 90 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.086 27.6-119.2 -54.6 155.0 -19.7 24.4 24.6 160 160 A E H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -1,-0.1 0.772 117.8 56.0 -66.0 -26.5 -17.7 22.4 27.2 161 161 A K H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 106.4 47.7 -68.4 -50.6 -19.2 19.3 25.5 162 162 A T H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.917 115.3 46.4 -56.8 -44.9 -17.8 20.3 22.1 163 163 A E H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.925 111.1 51.0 -65.9 -45.2 -14.4 21.0 23.7 164 164 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.867 107.6 53.4 -60.7 -39.5 -14.4 17.7 25.7 165 165 A E H X S+ 0 0 53 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.927 110.4 47.3 -62.9 -44.3 -15.2 15.7 22.6 166 166 A F H X S+ 0 0 0 -4,-1.8 4,-3.3 -5,-0.2 5,-0.3 0.959 113.6 47.6 -60.7 -50.8 -12.3 17.2 20.7 167 167 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.901 110.5 52.3 -57.6 -43.5 -10.0 16.6 23.7 168 168 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.957 116.1 39.3 -57.5 -52.1 -11.1 13.0 24.1 169 169 A V H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.927 118.7 47.3 -64.5 -46.0 -10.5 12.2 20.4 170 170 A A H X>S+ 0 0 1 -4,-3.3 4,-1.6 -5,-0.2 5,-0.5 0.898 111.8 48.5 -65.5 -44.5 -7.2 14.2 20.2 171 171 A I H X>S+ 0 0 15 -4,-2.9 5,-2.3 -5,-0.3 4,-0.7 0.923 117.2 42.8 -63.6 -41.2 -5.7 12.8 23.4 172 172 A Q H <>S+ 0 0 1 -4,-1.9 5,-1.1 -5,-0.3 -2,-0.2 0.941 118.1 43.0 -71.7 -44.7 -6.5 9.2 22.3 173 173 A M H <5S+ 0 0 1 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.657 129.9 27.1 -77.1 -15.2 -5.5 9.6 18.7 174 174 A V H X5S+ 0 0 1 -4,-1.6 4,-1.6 -5,-0.2 -3,-0.2 0.799 131.8 24.1-107.8 -68.9 -2.3 11.5 19.6 175 175 A S H X S+ 0 0 69 -2,-0.5 4,-2.5 67,-0.4 68,-0.2 0.842 97.9 58.7 -61.1 -36.7 1.4 0.3 19.2 182 182 A Y H > S+ 0 0 31 66,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.920 105.9 46.4 -60.7 -44.9 -1.9 -1.5 19.8 183 183 A I H > S+ 0 0 4 65,-0.4 4,-1.7 -7,-0.3 -1,-0.2 0.869 110.1 53.6 -67.8 -35.4 -3.9 1.8 19.8 184 184 A E H X S+ 0 0 2 -4,-1.8 4,-2.1 -7,-0.5 -2,-0.2 0.941 110.0 48.4 -60.8 -49.0 -2.0 3.0 16.7 185 185 A N H X S+ 0 0 72 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.785 105.7 57.5 -62.4 -33.0 -3.0 -0.2 14.9 186 186 A Q H X S+ 0 0 39 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.904 109.1 46.2 -64.4 -40.5 -6.7 0.2 16.0 187 187 A V H < S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.910 113.3 49.3 -67.2 -42.1 -6.7 3.6 14.4 188 188 A K H >< S+ 0 0 53 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.871 107.5 53.6 -66.2 -36.4 -5.1 2.2 11.2 189 189 A T H 3< S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.814 121.7 31.8 -68.5 -29.0 -7.5 -0.8 10.9 190 190 A N T >< S+ 0 0 23 -4,-1.2 3,-2.1 -5,-0.2 -1,-0.3 0.028 82.1 131.9-116.5 27.2 -10.4 1.6 11.0 191 191 A F T < S+ 0 0 14 -3,-1.1 -49,-0.5 1,-0.3 -48,-0.2 0.784 72.4 45.7 -51.5 -35.5 -8.6 4.5 9.3 192 192 A N T 3 S+ 0 0 144 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.3 0.372 117.3 35.1 -96.0 10.7 -11.4 5.2 6.9 193 193 A R S < S- 0 0 147 -3,-2.1 -51,-0.3 -53,-0.0 2,-0.2 -0.905 85.7 -88.3-150.8 175.2 -14.3 5.1 9.3 194 194 A A + 0 0 33 -2,-0.3 2,-0.3 -53,-0.1 -53,-0.2 -0.586 43.7 179.0 -88.7 147.9 -15.5 5.9 12.9 195 195 A F B -I 140 0E 18 -55,-2.2 -55,-3.0 -2,-0.2 -5,-0.0 -0.990 30.0-118.0-149.9 155.6 -15.0 3.3 15.6 196 196 A N - 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