==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-07 2Q8W . COMPND 2 MOLECULE: POKEWEED ANTIVIRAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA ACINOSA; . AUTHOR T.HOGG,R.HILGENFELD . 261 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 69.0 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 . 35 13.4 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 . 17 6.5 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 . 77 29.5 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+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 1 0 0 2 1 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 1 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 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 1 A I 0 0 104 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.8 21.9 30.8 46.5 2 2 A N - 0 0 138 1,-0.2 49,-0.1 48,-0.1 2,-0.1 -0.305 360.0 -42.6-109.3-166.9 22.8 33.3 43.9 3 3 A T - 0 0 55 -2,-0.1 2,-0.5 47,-0.1 49,-0.2 -0.247 44.4-146.0 -57.3 125.1 22.9 34.0 40.1 4 4 A I E -a 52 0A 9 47,-2.5 49,-2.7 -2,-0.1 2,-0.4 -0.777 20.0-157.4 -90.7 132.9 24.0 31.3 37.8 5 5 A T E -a 53 0A 70 -2,-0.5 2,-0.4 47,-0.2 49,-0.2 -0.880 15.9-174.5-117.6 141.5 25.9 32.6 34.8 6 6 A F E -a 54 0A 7 47,-2.5 49,-2.5 -2,-0.4 2,-1.0 -0.979 14.9-150.7-131.8 124.4 26.5 31.2 31.4 7 7 A D E > +a 55 0A 49 -2,-0.4 3,-0.9 47,-0.2 49,-0.2 -0.783 15.8 177.7 -96.6 97.3 28.8 32.9 28.9 8 8 A A T 3 S+ 0 0 3 47,-1.9 3,-0.5 -2,-1.0 137,-0.2 0.639 78.8 61.0 -73.9 -13.5 27.5 32.0 25.4 9 9 A G T 3 S+ 0 0 36 46,-0.8 -1,-0.2 47,-0.3 47,-0.1 0.645 117.0 27.6 -87.7 -14.1 30.1 34.2 23.8 10 10 A N S < S+ 0 0 100 -3,-0.9 -1,-0.2 45,-0.2 2,-0.2 -0.251 94.5 145.9-137.6 46.2 33.0 32.3 25.2 11 11 A A - 0 0 25 -3,-0.5 2,-0.3 -5,-0.1 -3,-0.1 -0.488 26.4-177.7 -95.8 159.9 31.6 28.8 25.7 12 12 A T > - 0 0 64 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.923 44.6-104.0-140.2 161.9 32.9 25.3 25.5 13 13 A I H > S+ 0 0 79 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 123.1 52.3 -54.2 -43.9 31.1 22.0 25.9 14 14 A N H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 108.4 49.6 -63.9 -35.7 32.7 21.6 29.3 15 15 A K H > S+ 0 0 91 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.870 111.2 49.4 -70.3 -37.0 31.5 25.1 30.4 16 16 A Y H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 110.7 50.8 -68.0 -37.3 27.9 24.3 29.2 17 17 A A H X S+ 0 0 22 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.915 110.5 48.9 -64.3 -41.2 28.1 21.0 31.1 18 18 A T H X S+ 0 0 76 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.894 109.2 52.9 -64.1 -41.6 29.2 22.8 34.3 19 19 A F H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.934 109.9 47.7 -59.3 -47.0 26.4 25.3 33.8 20 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.899 111.1 51.4 -62.6 -41.0 23.8 22.5 33.6 21 21 A E H X S+ 0 0 91 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.913 111.2 47.5 -64.6 -39.4 25.3 20.8 36.6 22 22 A S H X S+ 0 0 47 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.924 112.1 49.7 -65.9 -45.1 25.0 24.1 38.6 23 23 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.936 113.9 45.0 -61.6 -44.4 21.4 24.7 37.4 24 24 A R H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.926 112.5 51.7 -66.0 -41.0 20.4 21.2 38.5 25 25 A N H < S+ 0 0 85 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 115.2 40.8 -65.8 -34.2 22.2 21.4 41.8 26 26 A E H < S+ 0 0 51 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.793 117.4 47.5 -84.9 -26.6 20.6 24.7 42.7 27 27 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.858 92.1 91.1 -81.3 -36.9 17.1 23.8 41.5 28 28 A K S < S- 0 0 67 -4,-2.4 12,-0.3 -5,-0.2 5,-0.1 -0.145 87.1-104.3 -62.1 150.8 16.7 20.3 43.0 29 29 A D - 0 0 31 10,-2.8 10,-0.3 3,-0.2 -1,-0.1 -0.570 37.9-117.1 -69.0 138.5 15.2 19.7 46.4 30 30 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.798 104.0 14.3 -51.2 -28.9 18.1 19.0 48.7 31 31 A S S S+ 0 0 94 8,-0.1 2,-0.3 7,-0.0 -3,-0.0 0.652 94.2 104.6-126.1 -16.6 16.9 15.5 49.4 32 32 A L + 0 0 61 7,-0.2 7,-2.1 225,-0.0 2,-0.3 -0.511 38.6 139.3 -74.1 132.6 14.1 14.3 47.0 33 33 A K E -F 38 0B 91 5,-0.3 2,-0.4 -2,-0.3 225,-0.2 -0.953 33.4-153.9-163.2 153.0 15.2 11.8 44.3 34 34 A a E > S-F 37 0B 1 3,-1.9 3,-2.5 -2,-0.3 226,-0.3 -0.995 83.1 -7.5-136.2 129.5 13.7 8.7 42.7 35 35 A Y T 3 S- 0 0 14 224,-2.3 226,-0.3 -2,-0.4 225,-0.2 0.846 131.5 -56.7 52.9 36.0 15.9 6.0 41.2 36 36 A G T 3 S+ 0 0 36 224,-2.4 -1,-0.3 1,-0.2 225,-0.1 0.473 110.8 123.2 78.7 1.8 18.9 8.3 41.8 37 37 A I E < -F 34 0B 4 -3,-2.5 -3,-1.9 223,-0.1 -1,-0.2 -0.841 64.3-120.2 -99.4 125.4 17.4 11.1 39.7 38 38 A P E -F 33 0B 33 0, 0.0 213,-2.9 0, 0.0 2,-0.3 -0.271 25.9-150.0 -65.2 147.6 17.0 14.4 41.6 39 39 A M B -g 251 0C 3 -7,-2.1 -10,-2.8 -10,-0.3 -7,-0.2 -0.900 15.1-114.7-118.1 148.4 13.5 15.9 41.9 40 40 A L - 0 0 0 211,-2.5 214,-0.2 -2,-0.3 -12,-0.2 -0.375 42.7 -97.3 -75.6 157.8 12.5 19.5 42.2 41 41 A P - 0 0 0 0, 0.0 212,-0.3 0, 0.0 -1,-0.1 -0.199 35.5 -96.8 -75.9 167.4 10.8 20.8 45.4 42 42 A N > - 0 0 52 1,-0.1 3,-0.6 2,-0.1 28,-0.0 -0.199 51.3 -88.2 -72.3 172.8 7.2 21.2 46.3 43 43 A T T 3 S+ 0 0 102 1,-0.2 -1,-0.1 26,-0.1 26,-0.1 0.448 120.7 57.6 -65.3 -3.5 5.6 24.7 46.0 44 44 A N T 3 S+ 0 0 130 25,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.293 77.0 138.4-125.5 53.0 6.6 25.8 49.5 45 45 A S < - 0 0 36 -3,-0.6 3,-0.1 2,-0.1 24,-0.1 -0.286 65.2 -94.5 -90.2 178.8 10.4 25.4 49.5 46 46 A T S S+ 0 0 122 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.787 109.4 31.9 -60.7 -38.9 13.2 27.6 51.0 47 47 A I - 0 0 46 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.995 63.7-167.6-128.0 125.8 14.0 29.6 47.9 48 48 A K + 0 0 93 -2,-0.4 20,-2.6 1,-0.1 21,-0.5 0.780 64.8 33.2 -85.7 -29.0 11.3 30.4 45.3 49 49 A Y E - B 0 67A 23 18,-0.3 2,-0.4 19,-0.1 18,-0.2 -0.940 54.8-154.7-134.3 155.0 13.3 31.7 42.3 50 50 A L E - B 0 66A 5 16,-2.4 16,-3.1 -2,-0.3 2,-0.5 -0.965 13.7-148.2-122.4 138.5 16.6 31.2 40.4 51 51 A L E - B 0 65A 36 -2,-0.4 -47,-2.5 14,-0.2 2,-0.5 -0.923 10.7-169.4-108.2 134.5 18.2 33.9 38.3 52 52 A V E -aB 4 64A 0 12,-2.5 12,-2.9 -2,-0.5 2,-0.5 -0.963 7.3-157.3-126.9 113.8 20.2 32.7 35.3 53 53 A K E -aB 5 63A 65 -49,-2.7 -47,-2.5 -2,-0.5 2,-0.5 -0.793 6.6-164.3 -98.5 124.5 22.3 35.4 33.6 54 54 A L E -aB 6 62A 0 8,-3.2 8,-2.1 -2,-0.5 2,-0.4 -0.931 3.4-159.5-108.6 131.2 23.2 34.7 29.9 55 55 A Q E -aB 7 61A 51 -49,-2.5 -47,-1.9 -2,-0.5 -46,-0.8 -0.922 4.6-151.3-117.1 135.2 26.0 36.7 28.3 56 56 A G > - 0 0 0 4,-2.9 3,-1.8 -2,-0.4 -47,-0.3 -0.400 35.3-100.0 -95.5 174.3 26.4 37.1 24.6 57 57 A A T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -49,-0.2 89,-0.1 0.706 123.6 64.7 -64.6 -22.0 29.5 37.6 22.5 58 58 A S T 3 S- 0 0 61 87,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.576 114.8-120.9 -73.0 -11.1 28.5 41.3 22.4 59 59 A L S < S+ 0 0 122 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.291 74.6 127.9 83.1 -4.9 29.1 41.2 26.2 60 60 A K - 0 0 63 92,-0.1 -4,-2.9 -5,-0.1 -1,-0.4 -0.436 46.4-148.3 -76.0 159.8 25.4 42.2 26.7 61 61 A T E -B 55 0A 20 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.866 20.4-163.8-132.5 161.3 23.4 40.1 29.0 62 62 A I E -B 54 0A 0 -8,-2.1 -8,-3.2 -2,-0.3 2,-0.6 -0.989 15.7-151.9-137.8 132.3 19.8 38.8 29.6 63 63 A T E -BC 53 77A 16 14,-2.7 14,-2.3 -2,-0.4 -10,-0.3 -0.939 6.3-156.0-112.5 122.9 18.8 37.3 32.9 64 64 A L E -BC 52 76A 0 -12,-2.9 -12,-2.5 -2,-0.6 2,-0.5 -0.637 7.3-145.9 -87.4 149.2 16.0 34.7 33.0 65 65 A I E -BC 51 75A 0 10,-2.2 9,-2.5 -2,-0.3 10,-0.9 -0.980 17.2-166.3-115.7 126.3 14.1 34.2 36.2 66 66 A L E -BC 50 73A 0 -16,-3.1 -16,-2.4 -2,-0.5 2,-0.6 -0.919 25.8-122.3-111.2 137.2 13.0 30.6 36.8 67 67 A R E >> -B 49 0A 43 5,-2.6 4,-2.2 -2,-0.4 3,-0.6 -0.666 28.0-144.0 -73.1 124.0 10.4 29.5 39.3 68 68 A R T 34 S+ 0 0 11 -20,-2.6 -1,-0.2 -2,-0.6 -19,-0.1 0.879 88.7 59.2 -63.4 -36.5 12.6 27.1 41.3 69 69 A N T 34 S+ 0 0 27 -21,-0.5 184,-0.5 1,-0.2 -1,-0.2 0.771 128.7 8.1 -69.6 -23.7 9.9 24.5 42.0 70 70 A N T <4 S- 0 0 26 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.367 93.9-124.0-135.4 2.5 9.1 23.7 38.4 71 71 A L < + 0 0 0 -4,-2.2 2,-0.2 1,-0.2 -3,-0.1 0.581 53.5 154.3 62.3 18.0 11.7 25.6 36.4 72 72 A Y - 0 0 105 -5,-0.3 -5,-2.6 -6,-0.1 2,-0.5 -0.503 49.4-114.5 -74.6 143.2 9.3 27.6 34.3 73 73 A V E -C 66 0A 14 -7,-0.2 -7,-0.2 -2,-0.2 47,-0.1 -0.694 29.0-175.4 -77.5 124.0 10.5 30.9 33.0 74 74 A M E - 0 0 2 -9,-2.5 15,-1.7 -2,-0.5 2,-0.3 0.661 59.4 -64.9 -91.7 -22.6 8.6 33.8 34.5 75 75 A G E -CD 65 88A 0 -10,-0.9 -10,-2.2 13,-0.2 -1,-0.3 -0.972 50.7-114.4 163.9-163.6 10.2 36.5 32.5 76 76 A Y E -CD 64 87A 0 11,-2.1 11,-3.1 -2,-0.3 2,-0.3 -0.975 11.8-142.4-158.5 165.4 13.6 38.1 32.0 77 77 A S E -CD 63 86A 9 -14,-2.3 -14,-2.7 -2,-0.3 9,-0.2 -0.911 10.1-171.1-132.9 160.7 15.5 41.3 32.5 78 78 A D E - D 0 85A 1 7,-1.8 7,-2.7 -2,-0.3 2,-0.5 -0.989 36.6-102.3-147.8 149.3 18.1 43.2 30.6 79 79 A P E + D 0 84A 76 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.611 53.0 173.9 -71.4 123.1 20.3 46.3 31.3 80 80 A Y E > - D 0 83A 61 3,-2.7 3,-1.1 -2,-0.5 74,-0.1 -0.971 54.8 -23.9-141.9 121.5 18.5 49.1 29.4 81 81 A D T 3 S- 0 0 105 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.851 123.4 -51.5 51.2 42.0 19.1 52.8 29.2 82 82 A N T 3 S+ 0 0 159 1,-0.3 2,-0.3 28,-0.0 -1,-0.3 0.827 125.3 89.3 63.7 32.5 20.8 52.8 32.7 83 83 A K E < S-D 80 0A 91 -3,-1.1 -3,-2.7 -5,-0.1 2,-0.6 -0.877 85.1-106.0-144.5 171.2 17.9 51.0 34.2 84 84 A b E -De 79 111A 27 26,-1.6 28,-2.0 -2,-0.3 2,-0.6 -0.950 36.4-154.0-103.1 120.3 17.0 47.3 34.8 85 85 A R E -De 78 112A 6 -7,-2.7 -7,-1.8 -2,-0.6 2,-0.4 -0.887 7.2-159.0-102.8 121.6 14.3 46.5 32.3 86 86 A Y E -De 77 113A 26 26,-2.0 28,-2.6 -2,-0.6 2,-0.5 -0.855 7.6-167.1-108.3 136.9 12.0 43.6 33.3 87 87 A H E -D 76 0A 0 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.4 -0.964 12.9-178.8-122.8 110.4 9.8 41.6 30.9 88 88 A I E -D 75 0A 6 -2,-0.5 28,-2.2 -13,-0.2 -13,-0.2 -0.923 31.0-106.7-118.6 139.8 7.2 39.4 32.5 89 89 A F B > -h 116 0D 6 -15,-1.7 3,-1.6 -2,-0.4 30,-0.2 -0.242 32.5-116.1 -59.2 151.8 4.7 37.1 30.8 90 90 A N T 3 S+ 0 0 77 28,-2.0 29,-0.2 26,-0.6 -1,-0.1 0.506 109.3 57.3 -73.7 -6.3 1.1 38.3 30.8 91 91 A D T 3 S+ 0 0 93 27,-0.3 2,-0.7 2,-0.0 -1,-0.3 0.342 81.3 98.3-103.7 6.3 -0.3 35.5 32.9 92 92 A I < + 0 0 9 -3,-1.6 2,-0.3 -18,-0.1 -4,-0.0 -0.845 57.2 159.8 -94.0 119.5 2.0 36.2 35.9 93 93 A K > - 0 0 131 -2,-0.7 4,-1.0 4,-0.0 3,-0.2 -0.865 30.7 -0.2-139.3 172.0 0.0 38.4 38.4 94 94 A G H > S+ 0 0 51 -2,-0.3 4,-1.7 2,-0.2 5,-0.2 -0.282 119.7 0.3 59.3-124.9 -0.4 39.6 42.0 95 95 A T H >> S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 3,-1.8 0.988 136.1 48.3 -54.8 -79.7 2.2 38.4 44.5 96 96 A E H 3> S+ 0 0 50 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.749 110.2 55.6 -27.2 -48.9 4.2 36.3 42.2 97 97 A Y H 3X S+ 0 0 57 -4,-1.0 4,-2.8 2,-0.2 -1,-0.3 0.904 111.4 39.0 -58.5 -50.8 4.3 39.2 39.7 98 98 A S H - 0 0 57 0, 0.0 3,-1.8 0, 0.0 -22,-0.1 -0.157 17.7-125.7 -54.4 140.8 15.4 45.4 42.8 107 107 A S T 3 S+ 0 0 80 1,-0.3 4,-0.1 -5,-0.1 -5,-0.0 0.457 104.1 73.3 -68.7 -2.1 13.5 48.5 43.8 108 108 A T T 3 S+ 0 0 120 2,-0.1 -1,-0.3 0, 0.0 3,-0.0 0.493 98.2 49.0 -88.3 -7.4 16.7 50.1 45.1 109 109 A N S < S- 0 0 92 -3,-1.8 -25,-0.1 1,-0.0 -26,-0.1 -0.908 103.8 -79.4-127.1 158.3 18.0 50.7 41.6 110 110 A P + 0 0 87 0, 0.0 -26,-1.6 0, 0.0 2,-0.3 -0.223 57.6 168.4 -56.5 144.6 16.3 52.3 38.5 111 111 A R E -e 84 0A 75 -28,-0.3 2,-0.3 -4,-0.1 -26,-0.2 -0.981 20.4-167.8-156.6 160.2 14.0 50.0 36.6 112 112 A V E -e 85 0A 48 -28,-2.0 -26,-2.0 -2,-0.3 2,-0.3 -0.984 22.3-121.5-153.0 142.9 11.3 50.0 33.9 113 113 A A E +e 86 0A 40 -2,-0.3 -26,-0.2 -28,-0.2 -28,-0.1 -0.610 22.4 175.4 -87.3 143.8 8.8 47.5 32.7 114 114 A K - 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0 0 0 -4,-2.4 4,-2.1 69,-0.3 3,-0.9 -0.918 56.2-165.3-127.5 111.5 16.6 16.4 30.2 180 180 A K H 3> S+ 0 0 88 -2,-0.5 4,-2.8 1,-0.3 68,-0.2 0.820 96.3 64.1 -54.5 -30.6 20.2 15.2 29.9 181 181 A Y H 3> S+ 0 0 30 66,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.899 104.4 43.9 -61.9 -40.9 19.2 14.2 26.4 182 182 A I H <> S+ 0 0 3 -3,-0.9 4,-1.9 65,-0.4 -2,-0.2 0.912 112.1 51.8 -70.3 -45.1 18.5 17.8 25.5 183 183 A E H X S+ 0 0 9 -4,-2.1 4,-2.4 -7,-0.5 -2,-0.2 0.922 110.9 50.7 -53.5 -44.5 21.8 19.0 27.1 184 184 A N H X S+ 0 0 68 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.862 103.0 57.0 -66.3 -34.9 23.5 16.3 25.1 185 185 A Q H X S+ 0 0 34 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.903 109.9 46.7 -60.5 -39.3 21.9 17.5 21.8 186 186 A V H >< S+ 0 0 1 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.918 113.1 48.9 -68.3 -42.3 23.4 21.0 22.5 187 187 A K H >< S+ 0 0 49 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.877 111.6 48.0 -68.5 -35.6 26.8 19.4 23.3 188 188 A T H 3< S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.568 121.2 37.2 -81.9 -6.3 26.9 17.2 20.2 189 189 A N T X< S+ 0 0 26 -3,-0.6 3,-2.0 -4,-0.6 -48,-0.3 -0.088 79.6 134.2-126.3 30.6 25.9 20.2 18.0 190 190 A F T < S+ 0 0 15 -3,-1.0 -49,-0.4 1,-0.3 -48,-0.2 0.799 72.2 41.3 -56.7 -33.8 28.0 22.7 20.0 191 191 A N T 3 S+ 0 0 156 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.199 113.5 54.2-102.0 19.3 29.5 24.4 17.0 192 192 A R S < S- 0 0 138 -3,-2.0 -51,-0.3 2,-0.0 2,-0.2 -0.967 81.4-103.6-147.4 162.9 26.5 24.6 14.7 193 193 A D - 0 0 62 -2,-0.3 2,-0.3 -53,-0.1 -53,-0.2 -0.606 46.0-178.8 -79.4 144.7 22.8 25.6 14.5 194 194 A F B -I 139 0E 8 -55,-2.6 -55,-3.5 -2,-0.2 -5,-0.0 -0.998 28.0-126.8-149.8 148.7 20.5 22.7 14.8 195 195 A F - 0 0 110 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.1 -0.734 39.6-107.9 -90.0 140.1 16.7 22.0 14.7 196 196 A P - 0 0 3 0, 0.0 -59,-0.1 0, 0.0 -1,-0.0 -0.540 37.4-130.9 -69.8 132.3 15.4 20.1 17.7 197 197 A N > - 0 0 34 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.105 26.8 -94.9 -76.8 176.1 14.4 16.6 16.8 198 198 A D H > S+ 0 0 58 33,-1.0 4,-2.2 1,-0.2 33,-0.2 0.799 123.6 55.7 -63.1 -30.7 11.2 14.8 17.5 199 199 A K H > S+ 0 0 21 32,-0.4 4,-2.8 2,-0.2 5,-0.2 0.891 104.7 53.8 -69.4 -38.4 12.5 13.2 20.7 200 200 A V H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.961 112.5 44.0 -59.0 -47.2 13.5 16.6 22.1 201 201 A L H X S+ 0 0 16 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.893 113.4 49.9 -67.1 -37.9 10.0 17.9 21.5 202 202 A E H X S+ 0 0 30 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.901 110.6 49.3 -69.2 -41.3 8.3 14.8 22.9 203 203 A L H >< S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.2 4,-0.4 0.947 110.8 51.1 -62.4 -44.5 10.5 14.8 26.1 204 204 A E H >< S+ 0 0 12 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.909 112.3 47.1 -57.0 -43.9 9.7 18.5 26.6 205 205 A E H 3< S+ 0 0 109 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.604 117.9 40.5 -75.9 -10.9 5.9 17.8 26.3 206 206 A N T S+ 0 0 6 -3,-0.8 4,-2.7 -4,-0.4 45,-0.4 0.883 81.9 48.4 -54.7 -41.8 8.2 15.8 31.5 208 208 A G H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.949 112.2 46.9 -66.2 -48.0 5.3 15.4 33.9 209 209 A K H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.909 115.2 46.9 -59.3 -43.1 4.2 12.1 32.6 210 210 A I H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.912 112.9 49.1 -66.2 -41.3 7.8 10.8 32.7 211 211 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.908 112.0 47.7 -66.9 -41.4 8.4 12.2 36.2 212 212 A T H X S+ 0 0 66 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 111.7 51.4 -65.2 -42.7 5.2 10.6 37.6 213 213 A A H X S+ 0 0 12 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.915 113.1 43.5 -60.8 -46.2 6.0 7.2 35.9 214 214 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.938 114.4 50.3 -65.6 -46.7 9.5 7.1 37.4 215 215 A H H 3< S+ 0 0 8 -4,-2.5 44,-0.4 1,-0.2 -2,-0.2 0.887 115.8 42.7 -58.2 -39.6 8.3 8.3 40.8 216 216 A D H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.557 87.4 123.3 -85.8 -6.8 5.6 5.6 40.8 217 217 A A << - 0 0 6 -4,-0.9 2,-0.5 -3,-0.7 42,-0.5 -0.294 51.7-145.6 -61.0 134.8 7.8 2.8 39.5 218 218 A K B > S-J 221 0F 176 3,-1.7 3,-2.3 1,-0.2 -1,-0.1 -0.900 78.4 -16.2-106.1 123.7 8.1 -0.4 41.5 219 219 A N T 3 S- 0 0 147 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.847 131.1 -52.9 49.4 39.2 11.4 -2.2 41.5 220 220 A G T 3 S+ 0 0 7 -3,-0.3 21,-2.7 1,-0.2 2,-0.5 0.364 110.3 124.2 83.8 -6.2 12.2 -0.2 38.4 221 221 A A E < -JK 218 240F 39 -3,-2.3 -3,-1.7 19,-0.2 19,-0.2 -0.777 61.2-127.1 -92.7 126.6 9.1 -1.1 36.5 222 222 A L E - 0 0 12 17,-2.8 -8,-0.1 -2,-0.5 -9,-0.1 -0.352 26.5-111.8 -66.2 151.8 6.9 1.8 35.2 223 223 A P E S- 0 0 76 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 0.863 95.0 -12.0 -51.0 -40.9 3.2 1.6 36.3 224 224 A K E S- 0 0 158 14,-0.1 14,-0.1 -11,-0.0 -7,-0.0 -0.944 100.2 -60.5-152.7 167.3 2.3 1.0 32.6 225 225 A P E - 0 0 81 0, 0.0 2,-0.7 0, 0.0 14,-0.2 -0.280 47.5-144.7 -57.4 138.9 4.0 1.3 29.2 226 226 A L E - K 0 238F 9 12,-3.0 12,-2.9 14,-0.0 2,-0.6 -0.923 10.8-152.1-108.3 112.6 5.2 4.9 28.6 227 227 A E E + K 0 237F 107 -2,-0.7 10,-0.2 10,-0.2 2,-0.2 -0.758 32.7 141.5 -90.3 122.7 4.9 5.8 24.9 228 228 A L E - K 0 236F 4 8,-3.6 8,-2.2 -2,-0.6 2,-0.4 -0.421 43.3 -92.5-133.0-152.9 7.3 8.4 23.6 229 229 A K E - K 0 235F 78 6,-0.3 6,-0.2 -2,-0.2 2,-0.1 -0.978 19.7-130.0-137.7 148.8 9.4 9.0 20.5 230 230 A N > - 0 0 52 4,-2.9 3,-2.5 -2,-0.4 -28,-0.1 -0.377 46.8 -90.2 -82.6 170.6 12.8 8.2 19.2 231 231 A A T 3 S+ 0 0 49 1,-0.3 -33,-1.0 -33,-0.2 -32,-0.4 0.812 128.2 52.5 -51.8 -34.1 15.0 10.8 17.6 232 232 A D T 3 S- 0 0 116 -35,-0.1 -1,-0.3 -34,-0.1 3,-0.1 0.311 122.5-102.9 -88.2 9.5 13.5 10.1 14.2 233 233 A G S < S+ 0 0 20 -3,-2.5 -2,-0.1 1,-0.3 3,-0.1 0.342 77.0 136.0 89.8 -7.9 10.0 10.5 15.4 234 234 A T - 0 0 71 1,-0.1 -4,-2.9 -5,-0.1 -1,-0.3 -0.316 65.1 -83.3 -74.1 158.7 9.2 6.8 15.5 235 235 A K E -K 229 0F 134 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.3 -0.349 42.0-167.3 -64.2 135.0 7.3 5.3 18.4 236 236 A W E -K 228 0F 39 -8,-2.2 -8,-3.6 -3,-0.1 2,-0.6 -0.989 5.1-157.5-126.7 121.6 9.3 4.4 21.5 237 237 A I E -K 227 0F 85 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.890 8.0-166.4-104.8 121.2 7.8 2.2 24.3 238 238 A V E +K 226 0F 0 -12,-2.9 -12,-3.0 -2,-0.6 -14,-0.1 -0.909 19.6 162.9-107.5 127.8 9.4 2.5 27.7 239 239 A L E + 0 0 90 -2,-0.5 -17,-2.8 -14,-0.2 2,-0.3 0.639 61.7 48.2-114.8 -22.1 8.7 -0.1 30.4 240 240 A R E >> S-K 221 0F 104 -19,-0.2 3,-1.6 1,-0.1 4,-0.7 -0.922 74.7-124.2-127.4 148.8 11.5 0.4 32.9 241 241 A V H >> S+ 0 0 0 -21,-2.7 4,-2.8 -2,-0.3 3,-1.3 0.886 109.3 59.7 -53.0 -45.0 13.1 3.4 34.7 242 242 A D H 34 S+ 0 0 114 -22,-0.3 -1,-0.3 1,-0.3 -21,-0.1 0.697 96.1 61.7 -63.0 -15.8 16.5 2.4 33.4 243 243 A E H <4 S+ 0 0 83 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.771 119.7 24.6 -78.2 -24.4 15.4 2.7 29.7 244 244 A I H XX S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.7 4,-0.6 0.665 98.6 87.7-111.4 -22.7 14.6 6.4 30.2 245 245 A K G >< S+ 0 0 68 -4,-2.8 3,-1.7 1,-0.3 -3,-0.1 0.839 80.6 63.5 -48.1 -42.5 16.8 7.5 33.1 246 246 A P G 34 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 104.5 48.8 -55.7 -25.1 19.8 8.3 30.9 247 247 A D G <4 S+ 0 0 19 -3,-2.2 -66,-1.9 -67,-0.1 2,-0.4 0.566 98.0 85.3 -90.1 -11.5 17.7 11.1 29.2 248 248 A V << + 0 0 2 -3,-1.7 -69,-0.3 -4,-0.6 3,-0.1 -0.800 37.9 167.9-104.0 131.9 16.5 12.7 32.4 249 249 A G S S+ 0 0 2 -71,-3.1 2,-0.3 -2,-0.4 -70,-0.2 0.729 73.0 14.2-104.7 -32.2 18.3 15.3 34.5 250 250 A L - 0 0 0 -72,-1.9 -1,-0.3 -213,-0.1 2,-0.3 -0.992 66.8-135.4-147.1 140.0 15.5 16.4 36.9 251 251 A L B -g 39 0C 0 -213,-2.9 -211,-2.5 -2,-0.3 -43,-0.1 -0.720 25.9-117.6 -94.5 140.8 12.2 15.1 37.9 252 252 A K - 0 0 81 -45,-0.4 2,-0.2 -2,-0.3 -182,-0.1 -0.418 53.2 -82.6 -65.6 153.8 9.1 17.4 38.2 253 253 A Y - 0 0 56 -184,-0.5 2,-0.4 -212,-0.3 -1,-0.1 -0.432 52.8-179.0 -64.2 130.1 7.9 17.3 41.8 254 254 A V - 0 0 20 -214,-0.2 -212,-0.1 -2,-0.2 -3,-0.0 -0.997 25.8-122.1-132.3 124.1 5.6 14.3 42.5 255 255 A N + 0 0 120 -2,-0.4 2,-0.0 3,-0.0 0, 0.0 -0.248 68.3 35.0 -66.8 152.2 4.1 13.9 45.9 256 256 A G S S- 0 0 49 2,-0.0 -2,-0.1 0, 0.0 2,-0.0 -0.068 93.0 -55.0 94.3 165.4 4.7 10.9 48.1 257 257 A T + 0 0 141 -225,-0.0 2,-0.3 -41,-0.0 -223,-0.1 -0.269 52.0 178.9 -76.2 166.3 7.6 8.5 48.7 258 258 A a - 0 0 29 -225,-0.2 2,-0.6 -42,-0.0 -42,-0.1 -0.954 46.9 -74.8-157.7 164.3 9.3 6.6 45.9 259 259 A Q - 0 0 92 -42,-0.5 -224,-2.3 -44,-0.4 -223,-0.1 -0.589 48.4-163.4 -66.2 114.8 12.2 4.2 45.5 260 260 A T 0 0 69 -2,-0.6 -224,-2.4 -226,-0.3 -1,-0.2 0.728 360.0 360.0 -80.4 -19.5 15.0 6.7 46.0 261 261 A T 0 0 114 -226,-0.3 -1,-0.1 -227,-0.1 -227,-0.1 0.626 360.0 360.0-125.2 360.0 17.9 4.7 44.6