==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-07 2QES . COMPND 2 MOLECULE: RIBOSOME-INACTIVATING PROTEIN PD-L4; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA DIOICA; . AUTHOR A.RUGGIERO,R.BERISIO . 261 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.9 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 . 36 13.8 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 . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.6 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 1 0 0 0 1 1 0 2 0 0 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 0 2 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 V 0 0 80 0, 0.0 2,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 137.1 1.0 33.3 18.2 2 2 A N - 0 0 89 47,-0.4 49,-3.0 24,-0.1 2,-0.5 -0.530 360.0-139.9 -88.2 152.3 4.1 33.1 20.4 3 3 A T E -a 51 0A 68 47,-0.2 2,-0.5 -2,-0.2 49,-0.2 -0.949 8.1-161.4-114.1 125.2 7.7 34.1 19.8 4 4 A I E -a 52 0A 18 47,-2.8 49,-2.4 -2,-0.5 2,-0.4 -0.955 14.6-151.2-102.3 125.4 10.6 32.0 21.0 5 5 A T E -a 53 0A 76 -2,-0.5 2,-0.5 47,-0.2 49,-0.2 -0.857 12.5-172.4-102.9 135.0 13.9 33.8 21.1 6 6 A F E -a 54 0A 7 47,-2.9 49,-2.3 -2,-0.4 2,-1.2 -0.987 16.9-146.7-121.4 120.4 17.3 32.2 20.7 7 7 A D E +a 55 0A 47 -2,-0.5 3,-0.3 1,-0.2 49,-0.1 -0.706 21.5 175.6 -85.9 93.0 20.4 34.5 21.3 8 8 A V S > S+ 0 0 1 47,-1.3 3,-1.5 -2,-1.2 48,-0.2 0.895 75.1 59.9 -66.4 -39.3 22.9 33.0 18.8 9 9 A G T 3 S+ 0 0 19 46,-2.1 -1,-0.2 1,-0.3 48,-0.1 0.811 117.8 29.5 -62.2 -30.5 25.5 35.6 19.5 10 10 A N T 3 S+ 0 0 114 -3,-0.3 -1,-0.3 45,-0.3 -2,-0.2 0.016 93.0 153.7-112.3 21.5 25.7 34.6 23.2 11 11 A A < + 0 0 23 -3,-1.5 2,-0.3 -5,-0.1 -3,-0.1 -0.158 17.3 176.0 -63.8 147.2 24.8 30.9 22.7 12 12 A T > - 0 0 69 1,-0.1 4,-2.3 179,-0.0 5,-0.2 -0.907 45.8-103.3-133.7 166.2 25.8 28.1 25.0 13 13 A I H > S+ 0 0 74 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.920 122.8 49.3 -54.8 -48.3 24.9 24.4 24.9 14 14 A N H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 108.8 50.9 -64.4 -37.6 22.5 24.9 27.8 15 15 A K H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 111.0 49.4 -69.1 -34.8 20.8 27.9 26.1 16 16 A Y H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 109.8 51.6 -67.1 -38.1 20.4 25.9 22.9 17 17 A A H X S+ 0 0 28 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.921 110.7 47.8 -59.9 -46.5 18.9 23.0 24.9 18 18 A T H X S+ 0 0 74 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.914 110.4 52.8 -60.8 -44.3 16.4 25.4 26.5 19 19 A F H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.940 109.9 48.0 -54.0 -49.3 15.6 26.8 23.1 20 20 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 112.5 48.6 -59.2 -45.9 14.8 23.3 21.7 21 21 A E H X S+ 0 0 108 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.923 113.0 47.5 -59.6 -45.3 12.7 22.5 24.7 22 22 A S H X S+ 0 0 51 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.901 112.4 49.3 -63.7 -44.0 10.8 25.8 24.4 23 23 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 5,-0.3 0.937 112.5 47.1 -63.0 -45.7 10.2 25.3 20.7 24 24 A R H X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.921 112.9 49.5 -60.7 -42.4 9.0 21.8 21.1 25 25 A N H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 114.0 44.5 -70.8 -31.0 6.7 22.8 23.9 26 26 A E H < S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.858 119.0 42.1 -74.5 -35.6 5.2 25.7 21.9 27 27 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.883 96.0 89.8 -80.8 -41.5 4.8 23.8 18.7 28 28 A K S < S- 0 0 61 -4,-2.4 12,-0.3 -5,-0.3 41,-0.1 -0.088 87.8 -99.5 -56.4 154.3 3.4 20.4 20.0 29 29 A D - 0 0 26 10,-2.6 10,-0.2 3,-0.2 -1,-0.1 -0.486 36.6-118.2 -59.2 144.6 -0.2 19.6 20.4 30 30 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 103.9 11.1 -58.8 -26.3 -1.0 20.1 24.1 31 31 A T S S+ 0 0 112 8,-0.1 -2,-0.1 7,-0.0 -3,-0.0 0.693 94.6 106.2-120.9 -41.4 -2.0 16.4 24.4 32 32 A L + 0 0 64 7,-0.1 7,-2.4 6,-0.1 2,-0.3 -0.253 37.8 141.0 -64.6 137.1 -1.0 14.3 21.5 33 33 A K E -F 38 0B 100 5,-0.3 2,-0.4 225,-0.1 225,-0.2 -0.964 33.1-152.5-160.9 154.0 2.0 11.9 21.9 34 34 A a E > S-F 37 0B 1 3,-2.1 3,-2.2 -2,-0.3 226,-0.3 -0.997 83.9 -8.1-133.9 130.0 2.9 8.4 20.8 35 35 A Y T 3 S- 0 0 22 224,-2.5 226,-0.3 -2,-0.4 225,-0.2 0.824 130.9 -56.9 54.8 36.2 5.4 6.3 22.8 36 36 A G T 3 S+ 0 0 40 224,-2.6 -1,-0.3 1,-0.2 225,-0.1 0.435 111.2 122.2 80.1 -1.0 6.1 9.3 25.0 37 37 A I E < -F 34 0B 5 -3,-2.2 -3,-2.1 223,-0.1 -1,-0.2 -0.831 65.7-119.6 -99.7 122.7 7.1 11.5 22.0 38 38 A P E -F 33 0B 33 0, 0.0 213,-2.5 0, 0.0 2,-0.4 -0.330 26.1-145.9 -64.7 148.9 5.1 14.7 21.6 39 39 A M B -g 251 0C 3 -7,-2.4 -10,-2.6 211,-0.2 213,-0.2 -0.866 13.4-115.5-116.4 141.7 3.2 15.1 18.4 40 40 A L - 0 0 0 211,-2.8 214,-0.2 -2,-0.4 -12,-0.2 -0.325 42.1-102.4 -67.3 156.5 2.5 18.3 16.3 41 41 A P - 0 0 1 0, 0.0 212,-0.3 0, 0.0 -1,-0.1 -0.282 35.1 -87.5 -80.2 169.5 -1.2 19.3 16.0 42 42 A D > - 0 0 51 1,-0.1 3,-0.9 212,-0.1 27,-0.1 -0.178 47.4-104.5 -63.1 162.0 -3.6 19.0 13.2 43 43 A S T 3 S+ 0 0 65 1,-0.2 -1,-0.1 26,-0.1 26,-0.1 0.579 116.3 61.9 -75.6 -3.8 -3.5 21.9 10.7 44 44 A N T 3 S+ 0 0 111 2,-0.1 -1,-0.2 25,-0.0 4,-0.1 0.642 76.2 105.5 -90.9 -22.6 -6.8 23.3 12.2 45 45 A L S < S- 0 0 56 -3,-0.9 23,-0.1 3,-0.1 24,-0.1 -0.414 73.3-101.8 -62.0 134.7 -5.5 24.0 15.8 46 46 A T S S+ 0 0 106 2,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.756 102.9 45.1-101.8 148.5 -4.9 27.6 16.6 47 47 A P S S- 0 0 45 0, 0.0 -2,-0.1 0, 0.0 -45,-0.0 0.643 72.9-171.4 -66.1 149.2 -2.5 29.3 16.8 48 48 A K + 0 0 81 -2,-0.2 20,-3.0 20,-0.1 21,-0.5 0.513 62.3 44.0 -83.2 -9.5 -1.4 27.7 13.6 49 49 A Y E - B 0 67A 9 18,-0.3 -47,-0.4 19,-0.1 2,-0.3 -0.871 58.4-154.3-135.1 162.9 2.1 29.2 13.8 50 50 A V E - B 0 66A 0 16,-2.2 16,-3.0 -2,-0.3 2,-0.4 -0.987 17.4-139.3-134.2 144.8 5.1 29.9 16.0 51 51 A L E -aB 3 65A 16 -49,-3.0 -47,-2.8 -2,-0.3 2,-0.5 -0.877 9.7-161.7-103.9 142.4 7.7 32.6 15.5 52 52 A V E -aB 4 64A 0 12,-2.7 12,-3.1 -2,-0.4 2,-0.6 -0.978 5.6-159.6-126.5 112.5 11.4 32.0 16.2 53 53 A K E -aB 5 63A 76 -49,-2.4 -47,-2.9 -2,-0.5 2,-0.5 -0.858 4.4-162.7 -96.2 121.4 13.5 35.1 16.7 54 54 A L E -aB 6 62A 0 8,-3.1 8,-1.8 -2,-0.6 2,-0.5 -0.893 5.0-160.3-107.6 125.1 17.2 34.6 16.1 55 55 A Q E -aB 7 61A 51 -49,-2.3 -46,-2.1 -2,-0.5 -47,-1.3 -0.908 4.1-150.2-112.6 125.8 19.6 37.3 17.6 56 56 A D > - 0 0 7 4,-3.0 3,-1.9 -2,-0.5 -46,-0.1 -0.287 37.2 -95.2 -83.8 175.9 23.2 37.8 16.4 57 57 A A T 3 S+ 0 0 63 1,-0.3 -1,-0.1 2,-0.1 89,-0.0 0.644 126.7 56.0 -67.7 -18.3 26.2 39.1 18.4 58 58 A S T 3 S- 0 0 102 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.301 119.9-110.6 -94.3 5.5 25.4 42.7 17.1 59 59 A S S < S+ 0 0 86 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.526 74.3 137.2 70.0 18.0 21.8 42.4 18.4 60 60 A K - 0 0 109 92,-0.1 -4,-3.0 18,-0.0 2,-0.3 -0.620 37.2-156.6 -85.6 151.0 20.3 42.3 15.0 61 61 A T E -B 55 0A 30 -2,-0.2 18,-0.5 -6,-0.2 2,-0.4 -0.896 23.1-162.5-129.5 159.2 17.5 39.7 14.5 62 62 A I E -BC 54 78A 0 -8,-1.8 -8,-3.1 -2,-0.3 2,-0.6 -0.995 18.4-150.0-129.1 134.1 15.7 37.6 12.0 63 63 A T E -BC 53 77A 15 14,-2.2 14,-2.2 -2,-0.4 2,-0.3 -0.937 7.1-156.7-108.1 120.9 12.3 36.1 12.8 64 64 A L E -BC 52 76A 1 -12,-3.1 -12,-2.7 -2,-0.6 2,-0.6 -0.741 8.4-142.9 -87.4 145.1 11.4 32.9 11.2 65 65 A M E -BC 51 75A 0 10,-2.5 9,-2.9 -2,-0.3 10,-0.7 -0.943 20.7-167.8-108.2 123.0 7.6 31.9 10.9 66 66 A L E -BC 50 73A 0 -16,-3.0 -16,-2.2 -2,-0.6 2,-0.5 -0.884 21.0-130.8-113.4 138.5 7.0 28.2 11.4 67 67 A R E > -B 49 0A 38 5,-2.5 4,-2.2 -2,-0.4 3,-0.4 -0.735 17.0-146.7 -80.7 128.8 3.8 26.3 10.7 68 68 A R T 4 S+ 0 0 13 -20,-3.0 -1,-0.1 -2,-0.5 -19,-0.1 0.889 90.3 63.1 -68.3 -37.0 3.0 24.2 13.8 69 69 A N T 4 S+ 0 0 34 -21,-0.5 184,-1.0 1,-0.2 -1,-0.2 0.821 129.6 3.6 -61.1 -33.6 1.5 21.2 11.9 70 70 A N T 4 S- 0 0 34 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.370 92.5-121.5-131.0 5.0 4.7 20.3 10.1 71 71 A L < + 0 0 0 -4,-2.2 2,-0.2 1,-0.2 -3,-0.1 0.592 55.3 157.9 61.0 20.9 7.3 22.8 11.5 72 72 A Y - 0 0 109 -5,-0.3 -5,-2.5 -6,-0.1 2,-0.5 -0.522 46.7-120.9 -74.0 138.5 8.1 24.2 8.1 73 73 A V E -C 66 0A 6 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.696 29.0-176.9 -72.2 121.4 9.6 27.7 7.8 74 74 A M E - 0 0 1 -9,-2.9 15,-1.9 -2,-0.5 2,-0.3 0.630 58.3 -46.3 -96.5 -21.4 7.2 29.7 5.7 75 75 A G E -CD 65 88A 0 -10,-0.7 -10,-2.5 13,-0.2 -1,-0.4 -0.953 54.0-125.5 166.5-179.9 9.2 33.0 5.6 76 76 A Y E -CD 64 87A 0 11,-2.3 11,-3.1 -2,-0.3 2,-0.3 -0.973 10.1-144.0-149.7 161.1 11.1 35.4 7.7 77 77 A S E -CD 63 86A 10 -14,-2.2 -14,-2.2 -2,-0.3 2,-0.3 -0.923 11.7-177.4-124.3 159.4 11.3 39.0 8.7 78 78 A D E -CD 62 85A 4 7,-2.0 7,-2.8 -2,-0.3 2,-0.6 -0.987 34.6-107.5-146.5 155.1 14.0 41.5 9.5 79 79 A L E + D 0 84A 113 -18,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.721 42.2 178.2 -81.0 120.0 14.0 45.2 10.5 80 80 A Y E > - D 0 83A 36 3,-2.7 3,-2.3 -2,-0.6 74,-0.1 -0.963 64.8 -26.1-134.8 115.5 15.2 47.2 7.6 81 81 A N T 3 S- 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.882 127.1 -49.8 50.3 39.7 15.5 51.0 7.6 82 82 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 3,-0.0 -1,-0.3 0.372 117.8 111.0 88.6 -9.0 12.8 51.0 10.3 83 83 A K E < S-D 80 0A 68 -3,-2.3 -3,-2.7 28,-0.0 2,-0.9 -0.749 74.7-117.5-105.4 146.1 10.4 48.8 8.4 84 84 A b E -De 79 111A 27 26,-2.7 28,-2.4 -2,-0.3 2,-0.7 -0.755 36.5-160.8 -79.2 106.0 9.2 45.2 9.1 85 85 A R E -De 78 112A 4 -7,-2.8 -7,-2.0 -2,-0.9 2,-0.4 -0.844 4.3-160.5 -98.1 115.5 10.5 43.6 5.9 86 86 A Y E -De 77 113A 32 26,-2.1 28,-2.7 -2,-0.7 2,-0.5 -0.840 9.0-166.9-107.3 136.3 8.8 40.3 5.3 87 87 A H E -D 76 0A 0 -11,-3.1 -11,-2.3 -2,-0.4 2,-0.4 -0.949 11.8-172.9-126.3 102.4 10.2 37.5 3.0 88 88 A I E -D 75 0A 19 -2,-0.5 28,-2.1 -13,-0.2 -13,-0.2 -0.871 26.1-116.0-106.1 134.5 7.7 34.8 2.1 89 89 A F > - 0 0 4 -15,-1.9 3,-1.0 -2,-0.4 30,-0.2 -0.286 25.0-124.6 -58.3 148.6 8.5 31.5 0.2 90 90 A N T 3 S+ 0 0 96 28,-1.9 29,-0.2 26,-0.5 -1,-0.1 0.446 102.6 68.6 -83.0 5.1 6.8 31.3 -3.2 91 91 A D T 3 S+ 0 0 68 27,-0.3 2,-0.4 -17,-0.1 -1,-0.2 0.193 73.3 109.3-107.3 13.6 5.1 28.0 -2.3 92 92 A I S < S- 0 0 24 -3,-1.0 -4,-0.0 -18,-0.1 5,-0.0 -0.739 71.7-116.5 -92.1 131.8 2.7 29.4 0.3 93 93 A S > - 0 0 60 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.121 27.7-105.4 -61.3 162.6 -1.0 29.6 -0.6 94 94 A S H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.920 121.1 47.2 -58.6 -42.5 -2.9 33.0 -0.8 95 95 A T H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.939 114.3 45.4 -70.1 -40.6 -4.6 32.4 2.5 96 96 A E H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 108.2 59.1 -69.0 -32.4 -1.4 31.4 4.4 97 97 A S H X S+ 0 0 27 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.883 102.7 52.4 -62.8 -40.7 0.5 34.3 2.8 98 98 A T H X S+ 0 0 65 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.923 109.5 49.7 -57.1 -47.3 -2.0 36.7 4.4 99 99 A D H X S+ 0 0 50 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.871 109.7 51.0 -59.2 -37.5 -1.3 35.0 7.7 100 100 A V H X>S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.5 0.945 110.3 49.6 -65.8 -47.8 2.5 35.3 7.1 101 101 A E H X5S+ 0 0 52 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.944 117.5 40.4 -49.4 -52.7 2.2 39.0 6.3 102 102 A N H <5S+ 0 0 74 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.747 116.9 46.9 -78.4 -23.3 0.1 39.7 9.4 103 103 A T H <5S+ 0 0 30 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.889 119.3 37.1 -84.8 -45.2 2.0 37.5 11.8 104 104 A L H <5S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.903 136.5 21.0 -67.4 -39.1 5.5 38.6 10.9 105 105 A b << + 0 0 2 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.1 -0.653 66.4 173.7-136.1 72.2 4.4 42.2 10.4 106 106 A P + 0 0 104 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.774 63.5 77.7 -59.4 -27.3 1.2 43.0 12.2 107 107 A N > - 0 0 92 1,-0.2 3,-1.5 3,-0.1 -23,-0.2 -0.758 66.0-162.5 -89.4 112.6 1.3 46.8 11.5 108 108 A S T 3 S+ 0 0 75 -2,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.678 85.3 54.6 -72.9 -13.6 0.2 47.1 7.9 109 109 A N T 3 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.464 107.1 50.1 -94.9 -1.0 1.6 50.7 7.6 110 110 A S S < S+ 0 0 46 -3,-1.5 -26,-2.7 -5,-0.1 2,-0.3 0.180 92.0 96.3-120.5 21.3 5.1 49.8 8.7 111 111 A R E -e 84 0A 58 -3,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.719 46.1-167.2-120.7 160.3 5.9 46.8 6.5 112 112 A E E -e 85 0A 61 -28,-2.4 -26,-2.1 -2,-0.3 2,-0.3 -0.992 20.4-126.0-146.0 130.1 7.7 46.2 3.3 113 113 A K E +e 86 0A 147 -2,-0.3 2,-0.2 -28,-0.2 -26,-0.2 -0.619 28.5 165.6 -81.0 136.9 7.8 43.1 1.0 114 114 A K - 0 0 52 -28,-2.7 -2,-0.0 -2,-0.3 -29,-0.0 -0.724 31.8-147.4-142.5 91.4 11.0 41.4 -0.1 115 115 A A - 0 0 24 -28,-0.2 2,-0.8 -2,-0.2 -26,-0.1 -0.068 16.7-130.7 -63.2 153.7 9.9 38.0 -1.5 116 116 A I - 0 0 1 -28,-2.1 2,-1.4 2,-0.1 -26,-0.5 -0.913 27.9-156.4 -95.4 104.5 11.8 34.7 -1.4 117 117 A N + 0 0 126 -2,-0.8 2,-0.3 -28,-0.1 -28,-0.1 -0.114 64.4 56.9 -88.7 46.8 11.3 34.0 -5.2 118 118 A Y S S- 0 0 9 -2,-1.4 -28,-1.9 10,-0.0 -27,-0.3 -0.949 87.9 -93.3-163.3 165.7 11.8 30.3 -4.9 119 119 A N - 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0 0 44 -3,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.701 52.9-143.5 -96.0 129.5 21.0 44.7 4.7 155 155 A S S S+ 0 0 74 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.902 79.1 3.2 -56.2 -46.7 19.7 46.5 1.6 156 156 A T + 0 0 108 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.997 63.0 169.2-145.8 144.7 20.5 43.7 -0.9 157 157 A F - 0 0 22 -2,-0.3 2,-0.1 -3,-0.1 -6,-0.1 -0.970 35.2 -98.4-150.0 160.5 22.0 40.2 -0.7 158 158 A T > - 0 0 86 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.355 27.5-116.7 -82.2 164.8 22.4 37.4 -3.2 159 159 A D H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 117.1 56.9 -63.6 -32.9 20.2 34.3 -3.4 160 160 A K H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 107.0 47.8 -63.1 -47.1 23.1 32.2 -2.5 161 161 A T H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.939 115.3 45.9 -57.7 -46.3 23.6 34.1 0.7 162 162 A E H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.938 112.6 48.5 -63.7 -47.9 19.9 33.8 1.5 163 163 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.876 110.0 52.6 -65.1 -35.2 19.7 30.1 0.7 164 164 A E H X S+ 0 0 35 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.957 110.8 47.5 -61.6 -49.0 22.7 29.3 2.8 165 165 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.932 113.2 48.8 -56.0 -48.4 21.1 31.2 5.7 166 166 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.930 110.7 49.5 -63.3 -43.1 17.8 29.3 5.2 167 167 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.918 115.9 43.7 -59.9 -43.7 19.6 25.9 5.0 168 168 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.948 118.3 43.1 -66.3 -49.6 21.5 26.5 8.2 169 169 A A H X>S+ 0 0 0 -4,-3.2 4,-1.9 -5,-0.2 5,-0.6 0.916 111.7 53.0 -65.2 -45.1 18.5 28.0 10.0 170 170 A I H X>S+ 0 0 16 -4,-2.8 5,-2.3 -5,-0.3 4,-0.7 0.934 116.2 40.2 -54.5 -46.6 16.0 25.4 8.9 171 171 A Q H <>S+ 0 0 0 -4,-1.6 5,-1.4 -5,-0.3 -2,-0.2 0.904 117.6 45.9 -74.0 -39.6 18.3 22.5 10.1 172 172 A M H <5S+ 0 0 2 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.628 128.8 26.0 -79.4 -16.2 19.4 24.2 13.4 173 173 A V H X5S+ 0 0 1 -4,-1.9 4,-1.9 -5,-0.2 -3,-0.2 0.758 132.9 22.7-108.5 -72.1 15.8 25.2 14.3 174 174 A S H XX - 0 0 0 -4,-2.1 4,-2.2 69,-0.3 3,-0.9 -0.919 55.5-163.9-128.7 108.2 15.1 15.3 16.0 180 180 A K H 3> S+ 0 0 91 -2,-0.5 4,-2.9 1,-0.3 68,-0.2 0.838 96.7 65.4 -51.4 -34.7 17.0 15.1 19.2 181 181 A Y H 3> S+ 0 0 31 66,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.922 104.8 42.6 -55.8 -41.7 19.7 13.4 17.2 182 182 A I H <> S+ 0 0 2 -3,-0.9 4,-2.1 65,-0.4 -2,-0.2 0.919 112.1 53.0 -73.4 -44.5 20.2 16.7 15.2 183 183 A E H X S+ 0 0 11 -4,-2.2 4,-2.3 -7,-0.5 -2,-0.2 0.928 110.8 49.6 -50.8 -44.0 20.0 18.8 18.3 184 184 A N H X S+ 0 0 69 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.820 104.4 56.4 -71.8 -30.7 22.8 16.6 19.7 185 185 A Q H X S+ 0 0 35 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.920 109.6 47.4 -61.0 -42.7 24.9 16.9 16.6 186 186 A V H < S+ 0 0 2 -4,-2.1 -2,-0.2 2,-0.2 6,-0.2 0.955 114.2 46.8 -62.4 -46.3 24.8 20.7 17.1 187 187 A K H >< S+ 0 0 47 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.916 110.5 51.1 -63.3 -44.0 25.7 20.3 20.9 188 188 A T H 3< S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.818 122.2 34.1 -64.6 -32.1 28.5 17.8 20.2 189 189 A N T >< S+ 0 0 31 -4,-1.6 3,-2.3 -5,-0.2 -1,-0.3 -0.022 82.1 133.0-106.2 30.4 29.9 20.3 17.7 190 190 A F T < S+ 0 0 27 -3,-1.6 -49,-0.5 1,-0.3 -1,-0.2 0.799 71.4 44.5 -62.8 -36.5 28.8 23.4 19.6 191 191 A N T 3 S+ 0 0 134 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.3 0.409 117.9 39.1 -88.0 8.3 32.1 25.3 19.4 192 192 A R S < S- 0 0 152 -3,-2.3 -51,-0.3 -6,-0.2 2,-0.1 -0.906 83.5 -92.7-150.4 167.5 32.7 24.6 15.7 193 193 A A - 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