==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-10 3PEI . COMPND 2 MOLECULE: CYTOSOL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR N.MALTSEVA,Y.KIM,M.GU,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR S . 456 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 52 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 2 2 0 0 1 0 1 1 2 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 0 4 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 PARALLEL BRIDGES PER LADDER . 0 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 0 A X 0 0 221 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.5 68.9 2.5 0.3 2 1 A X - 0 0 46 133,-0.0 2,-0.6 2,-0.0 133,-0.2 -0.702 360.0-143.9 -85.6 128.7 67.8 1.9 3.9 3 2 A K E -a 135 0A 117 131,-2.6 133,-2.4 -2,-0.4 2,-0.5 -0.863 17.5-176.7 -95.7 118.8 65.8 -1.3 4.6 4 3 A I E +a 136 0A 36 -2,-0.6 2,-0.3 131,-0.2 133,-0.2 -0.961 14.4 158.8-114.5 117.2 63.0 -1.0 7.2 5 4 A V E -a 137 0A 44 131,-2.2 133,-3.0 -2,-0.5 2,-0.4 -0.875 29.5-136.5-130.5 168.6 61.1 -4.2 8.0 6 5 A V E +a 138 0A 47 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.943 27.7 161.7-128.1 142.3 59.0 -5.4 10.9 7 6 A N E -a 139 0A 50 131,-2.8 133,-2.8 -2,-0.4 3,-0.0 -0.963 43.7-124.7-155.2 167.2 59.2 -8.8 12.5 8 7 A N S S+ 0 0 97 -2,-0.3 2,-0.3 131,-0.2 131,-0.1 0.384 94.4 32.2-105.3 5.5 58.2 -10.7 15.6 9 8 A Q S S- 0 0 116 129,-0.1 2,-0.5 131,-0.1 131,-0.1 -0.958 87.7-100.8-147.1 170.3 61.6 -12.0 16.4 10 9 A S + 0 0 27 -2,-0.3 5,-0.1 1,-0.1 128,-0.0 -0.797 39.5 160.6 -99.4 130.0 65.2 -10.7 16.0 11 10 A T + 0 0 84 -2,-0.5 2,-0.2 3,-0.1 -1,-0.1 0.328 42.8 95.4-130.4 3.4 67.2 -12.2 13.1 12 11 A L S S- 0 0 21 2,-0.2 78,-0.1 125,-0.1 79,-0.1 -0.499 82.2-108.9 -95.0 171.8 70.1 -9.8 12.5 13 12 A A S S+ 0 0 71 -2,-0.2 41,-1.6 40,-0.1 2,-0.4 0.604 101.6 43.0 -81.8 -13.8 73.6 -10.0 13.9 14 13 A A E S-b 54 0A 5 75,-0.4 77,-2.2 39,-0.2 2,-0.4 -0.986 70.5-162.9-130.2 148.0 73.3 -7.1 16.3 15 14 A E E -bc 55 91A 15 39,-2.6 41,-3.8 -2,-0.4 2,-0.6 -0.980 12.1-155.7-134.7 142.9 70.3 -6.3 18.5 16 15 A L E -bc 56 92A 0 75,-3.0 77,-2.2 -2,-0.4 2,-0.6 -0.966 13.2-161.0-118.8 112.8 69.2 -3.3 20.4 17 16 A X E -bc 57 93A 29 39,-2.8 41,-2.5 -2,-0.6 2,-0.7 -0.849 3.9-156.4 -97.4 114.2 66.9 -4.0 23.3 18 17 A I E -b 58 0A 0 75,-2.4 2,-0.6 -2,-0.6 78,-0.4 -0.833 20.7-167.8 -97.7 113.2 64.9 -1.0 24.5 19 18 A V E -b 59 0A 0 39,-3.0 41,-2.0 -2,-0.7 42,-0.5 -0.880 22.0-149.1-120.8 114.5 64.0 -1.7 28.1 20 19 A A > - 0 0 0 76,-2.8 3,-1.6 -2,-0.6 4,-0.4 -0.514 30.1-124.2 -66.3 139.2 61.6 0.0 30.5 21 20 A Q G > S+ 0 0 59 40,-2.1 3,-1.5 1,-0.3 4,-0.4 0.892 111.0 59.2 -58.6 -39.3 62.9 -0.2 34.0 22 21 A E G 3 S+ 0 0 85 39,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.739 108.2 47.5 -61.8 -17.8 59.7 -1.9 35.2 23 22 A N G <> S+ 0 0 18 -3,-1.6 4,-2.2 73,-0.3 -1,-0.2 0.392 81.5 98.1-101.6 4.4 60.4 -4.7 32.7 24 23 A L H <> S+ 0 0 13 -3,-1.5 4,-2.2 -4,-0.4 -1,-0.1 0.926 83.9 48.2 -57.0 -49.1 64.1 -5.2 33.5 25 24 A Q H > S+ 0 0 120 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.937 110.8 50.2 -59.1 -49.9 63.4 -8.2 35.8 26 25 A K H > S+ 0 0 108 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.881 110.1 51.5 -56.6 -39.9 61.2 -9.9 33.2 27 26 A L H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.888 107.2 54.1 -63.4 -39.8 63.8 -9.4 30.6 28 27 A V H < S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 106.7 50.5 -62.7 -41.6 66.4 -11.0 32.9 29 28 A E H < S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.921 111.1 48.2 -63.7 -43.7 64.3 -14.1 33.4 30 29 A Q H < 0 0 107 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.865 360.0 360.0 -64.5 -38.8 63.8 -14.6 29.6 31 30 A T < 0 0 126 -4,-2.1 -1,-0.1 -5,-0.2 -3,-0.0 -0.044 360.0 360.0 -36.8 360.0 67.5 -14.1 28.9 32 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 39 A L > 0 0 144 0, 0.0 4,-2.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.8 75.9 -10.4 37.6 34 40 A D T 4 + 0 0 136 1,-0.2 4,-0.4 2,-0.2 -6,-0.0 0.864 360.0 50.6 -39.6 -36.8 74.3 -10.4 34.2 35 41 A R T 4 S+ 0 0 107 1,-0.1 3,-0.4 2,-0.1 -1,-0.2 0.966 111.9 38.8 -66.5 -57.8 71.5 -9.4 36.6 36 42 A R T 4 S+ 0 0 125 1,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.716 98.0 72.9 -77.1 -25.4 73.0 -6.5 38.6 37 43 A I S < S+ 0 0 78 -4,-2.0 2,-0.5 2,-0.1 -1,-0.2 0.786 94.9 43.3 -70.6 -40.2 75.1 -4.6 36.1 38 44 A F - 0 0 6 -4,-0.4 -1,-0.0 -3,-0.4 8,-0.0 -0.932 57.8-177.2-109.4 129.1 72.6 -2.7 33.9 39 45 A K - 0 0 115 -2,-0.5 -15,-0.1 2,-0.0 -1,-0.1 0.349 42.2-118.4-111.4 5.7 69.7 -1.1 35.8 40 46 A A + 0 0 0 1,-0.2 21,-2.1 19,-0.1 20,-0.5 0.859 51.1 169.2 61.6 38.1 67.7 0.2 32.8 41 47 A K > - 0 0 112 19,-0.2 3,-2.8 18,-0.2 18,-0.4 -0.465 52.0 -71.8 -78.3 155.3 68.0 3.8 33.8 42 48 A S T 3 S- 0 0 78 18,-0.3 18,-0.2 1,-0.3 -1,-0.1 -0.246 120.5 -1.6 -52.1 115.2 66.9 6.5 31.4 43 49 A G T 3 S+ 0 0 17 16,-2.3 -1,-0.3 1,-0.3 2,-0.1 0.401 92.2 146.1 85.7 -1.9 69.6 6.6 28.7 44 50 A E < - 0 0 45 -3,-2.8 15,-2.4 2,-0.0 2,-0.4 -0.469 29.3-163.9 -70.3 140.4 71.8 3.9 30.2 45 51 A V E +D 58 0A 35 13,-0.2 13,-0.2 -2,-0.1 11,-0.0 -0.985 16.1 177.7-135.9 130.0 73.6 1.7 27.6 46 52 A L E -D 57 0A 39 11,-2.5 11,-2.5 -2,-0.4 2,-0.6 -0.923 13.9-156.2-136.1 109.8 75.3 -1.6 27.9 47 53 A P E -D 56 0A 37 0, 0.0 2,-0.7 0, 0.0 9,-0.2 -0.770 6.2-164.1 -88.4 123.3 76.8 -3.4 24.9 48 54 A L E +D 55 0A 50 7,-3.4 7,-2.5 -2,-0.6 3,-0.2 -0.928 16.2 170.7-103.8 107.0 77.1 -7.1 25.4 49 55 A L + 0 0 107 -2,-0.7 -1,-0.1 5,-0.2 5,-0.1 0.124 49.2 107.2-101.9 19.4 79.5 -8.5 22.8 50 56 A H + 0 0 138 5,-0.1 -1,-0.2 2,-0.0 4,-0.1 0.975 66.9 58.5 -65.4 -57.6 79.4 -11.8 24.6 51 57 A G S S- 0 0 33 2,-0.3 4,-0.1 -3,-0.2 0, 0.0 -0.053 101.1-104.2 -60.7 172.1 77.3 -13.8 22.1 52 58 A D S S+ 0 0 173 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.823 115.1 61.9 -64.8 -30.3 78.5 -14.1 18.5 53 59 A K S S- 0 0 70 -39,-0.0 -2,-0.3 -41,-0.0 -39,-0.2 -0.803 95.6-120.1 -96.6 138.5 75.8 -11.6 17.9 54 60 A I E -b 14 0A 43 -41,-1.6 -39,-2.6 -2,-0.4 2,-0.4 -0.549 24.6-163.8 -80.4 141.5 76.1 -8.2 19.6 55 61 A V E -bD 15 48A 16 -7,-2.5 -7,-3.4 -41,-0.2 2,-0.5 -0.979 2.6-166.5-129.2 120.4 73.4 -7.1 22.0 56 62 A I E -bD 16 47A 0 -41,-3.8 -39,-2.8 -2,-0.4 2,-0.5 -0.913 7.3-155.3-109.2 123.0 73.0 -3.5 23.2 57 63 A L E -bD 17 46A 16 -11,-2.5 -11,-2.5 -2,-0.5 2,-0.4 -0.836 10.3-174.3 -98.4 133.9 70.7 -2.7 26.1 58 64 A L E -bD 18 45A 0 -41,-2.5 -39,-3.0 -2,-0.5 -13,-0.2 -0.994 13.5-143.8-129.6 123.6 69.2 0.8 26.3 59 65 A G E -b 19 0A 0 -15,-2.4 -16,-2.3 -2,-0.4 -39,-0.2 -0.522 17.1-171.4 -92.5 154.4 67.2 1.8 29.4 60 66 A L - 0 0 2 -41,-2.0 -18,-0.3 -20,-0.5 -19,-0.2 0.482 32.1-140.5-114.3 -6.3 64.1 4.0 29.6 61 67 A G - 0 0 8 -21,-2.1 -40,-2.1 -42,-0.5 -39,-0.4 -0.348 52.7 -25.8 68.3-161.4 63.8 4.5 33.3 62 68 A L > - 0 0 47 -42,-0.2 3,-1.8 -41,-0.2 4,-0.4 -0.537 55.7-119.7 -90.1 153.4 60.3 4.5 34.8 63 69 A R G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.887 112.0 56.3 -56.5 -42.8 57.1 5.4 33.0 64 70 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.584 109.8 45.3 -70.1 -9.5 56.3 8.2 35.5 65 71 A D G < S+ 0 0 117 -3,-1.8 2,-0.5 2,-0.0 -1,-0.3 0.396 87.9 115.2-108.4 3.7 59.7 9.9 34.8 66 72 A F < - 0 0 20 -3,-1.4 2,-0.7 -4,-0.4 3,-0.1 -0.615 43.1-170.5 -89.6 118.9 59.5 9.6 31.0 67 73 A I > - 0 0 104 -2,-0.5 3,-1.9 1,-0.2 4,-0.1 -0.915 9.3-159.4-106.7 110.4 59.4 12.6 28.9 68 74 A A G > S+ 0 0 33 -2,-0.7 3,-2.1 1,-0.3 4,-0.3 0.794 87.7 65.4 -57.1 -34.2 58.7 11.5 25.3 69 75 A S G 3 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.678 100.9 53.8 -67.6 -12.3 60.0 14.8 23.8 70 76 A E G X> S+ 0 0 75 -3,-1.9 3,-1.0 1,-0.2 4,-1.0 0.337 75.8 104.7 -97.8 2.5 63.4 13.8 25.2 71 77 A Y H <> S+ 0 0 7 -3,-2.1 4,-2.7 1,-0.3 3,-0.4 0.838 72.2 60.4 -60.7 -35.2 63.4 10.3 23.5 72 78 A D H 3> S+ 0 0 31 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.3 0.855 100.5 56.4 -56.1 -37.8 65.9 11.3 20.8 73 79 A K H <> S+ 0 0 106 -3,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.844 110.2 45.2 -65.5 -33.8 68.4 12.1 23.5 74 80 A I H >X S+ 0 0 10 -4,-1.0 3,-0.9 -3,-0.4 4,-0.9 0.938 112.4 48.2 -74.0 -50.4 68.0 8.6 24.8 75 81 A I H >X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.886 100.8 69.2 -55.4 -35.9 68.2 6.9 21.4 76 82 A A H 3X S+ 0 0 15 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.883 93.1 57.9 -50.5 -40.4 71.3 9.1 20.8 77 83 A K H S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 4,-0.4 0.950 113.8 41.1 -55.9 -50.3 76.1 1.7 16.8 83 89 A K H ><5S+ 0 0 94 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.949 115.2 51.3 -63.4 -46.0 78.6 4.0 15.1 84 90 A K H 3<5S+ 0 0 150 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.874 116.0 39.8 -61.1 -39.5 81.4 3.0 17.5 85 91 A L T 3<5S- 0 0 49 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.416 109.2-125.6 -90.7 1.8 80.9 -0.7 16.9 86 92 A A T < 5 + 0 0 65 -3,-1.2 2,-0.6 -4,-0.4 -3,-0.2 0.811 46.2 169.8 60.6 33.9 80.3 -0.1 13.2 87 93 A I < + 0 0 13 -5,-2.2 -1,-0.2 -6,-0.3 3,-0.1 -0.678 13.6 169.7 -81.5 119.6 76.9 -1.9 13.3 88 94 A K + 0 0 57 -2,-0.6 46,-2.9 1,-0.2 47,-1.9 0.658 66.5 51.4-104.9 -21.8 75.1 -1.4 10.0 89 95 A E E S+ e 0 135A 89 45,-0.2 2,-0.4 44,-0.2 -75,-0.4 -0.978 70.5 176.0-117.1 123.1 72.2 -3.9 10.5 90 96 A I E - e 0 136A 0 45,-2.7 47,-2.4 -2,-0.5 2,-0.5 -0.987 25.8-149.8-134.3 129.6 70.2 -3.7 13.7 91 97 A S E -ce 15 137A 0 -77,-2.2 -75,-3.0 -2,-0.4 2,-0.7 -0.829 19.3-155.3 -86.2 132.6 67.2 -5.5 15.2 92 98 A V E -ce 16 138A 0 45,-2.9 47,-3.1 -2,-0.5 2,-0.6 -0.909 4.9-162.0-116.8 105.2 65.3 -3.2 17.5 93 99 A D E +ce 17 139A 18 -77,-2.2 -75,-2.4 -2,-0.7 3,-0.2 -0.772 17.1 170.5 -89.2 122.4 63.3 -5.1 20.0 94 100 A I > + 0 0 9 45,-2.3 3,-1.3 -2,-0.6 -1,-0.1 0.213 47.7 105.0-112.0 14.1 60.6 -3.0 21.7 95 101 A D T 3 S+ 0 0 53 44,-0.4 -1,-0.1 1,-0.2 45,-0.1 0.708 82.3 50.7 -67.8 -18.3 58.7 -5.7 23.5 96 102 A Y T 3 S+ 0 0 36 -78,-0.4 -76,-2.8 -3,-0.2 -73,-0.3 0.320 90.1 97.0-104.4 7.2 60.3 -4.6 26.9 97 103 A A S < S- 0 0 6 -3,-1.3 2,-0.2 -78,-0.3 -78,-0.1 0.066 93.5 -41.6 -73.7-164.6 59.4 -0.9 26.5 98 104 A F - 0 0 16 1,-0.1 -1,-0.2 -79,-0.1 -2,-0.0 -0.448 40.5-153.5 -71.6 132.1 56.3 0.6 28.2 99 105 A E S S+ 0 0 162 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.870 95.3 55.1 -65.5 -39.8 53.1 -1.4 28.0 100 106 A N S S+ 0 0 109 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.870 86.1 92.3 -63.3 -40.8 51.1 1.8 28.3 101 107 A D S S- 0 0 32 1,-0.1 2,-0.4 2,-0.1 -4,-0.0 -0.235 87.2-111.5 -60.1 141.1 52.6 3.6 25.3 102 108 A N > - 0 0 102 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.660 24.2-141.2 -76.6 128.7 50.7 3.1 22.1 103 109 A V H > S+ 0 0 29 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.803 91.8 62.0 -62.8 -38.0 53.0 1.1 19.9 104 110 A K H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 110.8 37.8 -57.2 -54.7 52.3 2.8 16.6 105 111 A Q H > S+ 0 0 37 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.903 117.1 52.3 -65.1 -37.4 53.6 6.2 17.7 106 112 A F H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.925 110.5 48.0 -65.9 -41.8 56.4 4.5 19.7 107 113 A T H X S+ 0 0 0 -4,-3.4 4,-2.3 2,-0.2 5,-0.3 0.939 112.2 49.1 -55.9 -53.4 57.4 2.5 16.6 108 114 A L H X S+ 0 0 8 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.928 114.8 45.7 -52.1 -49.8 57.3 5.7 14.4 109 115 A D H X S+ 0 0 13 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.853 111.0 51.0 -63.6 -40.1 59.4 7.6 17.0 110 116 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.922 113.9 44.0 -66.3 -47.6 62.0 4.8 17.5 111 117 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.952 116.2 48.1 -62.3 -50.1 62.6 4.4 13.8 112 118 A R H X S+ 0 0 14 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.939 113.1 46.4 -55.8 -50.7 62.7 8.2 13.3 113 119 A A H X S+ 0 0 0 -4,-3.0 4,-3.6 1,-0.2 5,-0.2 0.905 110.9 52.9 -64.5 -38.5 65.1 8.8 16.2 114 120 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.901 114.5 40.6 -60.9 -42.8 67.5 6.0 15.1 115 121 A I H < S+ 0 0 11 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.876 118.8 48.0 -75.1 -37.9 67.8 7.2 11.6 116 122 A S H >< S+ 0 0 3 -4,-2.8 3,-1.3 -5,-0.3 -2,-0.2 0.933 112.0 47.7 -66.2 -45.3 68.0 10.8 12.8 117 123 A E H 3< S+ 0 0 50 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.633 106.0 57.3 -79.8 -9.6 70.6 10.2 15.5 118 124 A T T 3< S+ 0 0 17 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.248 80.3 131.6 -99.3 13.2 72.9 8.2 13.3 119 125 A Y < - 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0 0 61 -2,-0.4 2,-0.3 -3,-0.1 -13,-0.1 -0.947 53.1-101.7-167.9 146.5 75.3 4.6 8.0 133 139 A L + 0 0 7 -2,-0.3 -44,-0.2 1,-0.2 -45,-0.1 -0.633 31.5 179.2 -74.0 133.1 72.5 2.2 9.0 134 140 A E + 0 0 94 -46,-2.9 -131,-2.6 -2,-0.3 2,-0.3 0.661 66.3 19.2-104.7 -27.8 71.6 -0.0 6.1 135 141 A Q E -ae 3 89A 18 -47,-1.9 -45,-2.7 -133,-0.2 2,-0.4 -0.965 50.3-173.8-152.5 131.9 68.9 -2.0 7.9 136 142 A I E -ae 4 90A 0 -133,-2.4 -131,-2.2 -2,-0.3 2,-0.7 -0.993 8.3-167.5-117.5 122.6 66.5 -1.8 10.8 137 143 A E E -ae 5 91A 8 -47,-2.4 -45,-2.9 -2,-0.4 2,-0.5 -0.935 15.7-148.8-108.0 106.3 64.4 -4.8 11.7 138 144 A L E -ae 6 92A 0 -133,-3.0 -131,-2.8 -2,-0.7 2,-0.6 -0.673 11.3-152.5 -77.4 121.2 61.8 -3.6 14.2 139 145 A V E +ae 7 93A 2 -47,-3.1 -45,-2.3 -2,-0.5 -44,-0.4 -0.862 27.2 154.0-104.2 117.2 61.0 -6.5 16.5 140 146 A Y - 0 0 29 -133,-2.8 6,-0.1 -2,-0.6 -131,-0.1 -0.989 27.7-167.7-148.6 132.1 57.5 -6.5 18.1 141 147 A S + 0 0 76 -2,-0.3 -133,-0.1 -133,-0.0 -1,-0.1 0.494 56.8 100.0 -99.8 -8.6 55.4 -9.4 19.3 142 148 A G S S- 0 0 40 1,-0.1 -2,-0.1 2,-0.0 -47,-0.0 0.043 79.6-109.0 -78.2-171.3 52.0 -7.7 19.8 143 149 A D S S+ 0 0 151 2,-0.1 2,-0.1 3,-0.0 -1,-0.1 0.497 77.9 108.8-102.4 -7.3 48.9 -7.6 17.7 144 150 A Q S S- 0 0 93 1,-0.1 2,-0.9 2,-0.0 -2,-0.0 -0.403 72.9-118.7 -72.3 147.1 49.1 -4.0 16.5 145 151 A D + 0 0 112 1,-0.1 4,-0.2 -2,-0.1 3,-0.1 -0.756 43.3 160.7 -88.0 108.8 49.9 -3.2 12.9 146 152 A I > + 0 0 3 -2,-0.9 4,-1.6 1,-0.1 5,-0.1 0.336 40.6 101.0-112.7 8.8 53.1 -1.2 13.0 147 153 A E H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.929 87.0 43.6 -62.0 -46.3 54.3 -1.5 9.4 148 154 A D H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 107.1 59.1 -70.8 -42.2 53.2 1.9 8.3 149 155 A S H > S+ 0 0 13 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 106.2 50.3 -48.4 -42.1 54.3 3.6 11.4 150 156 A A H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.898 108.9 51.4 -66.3 -38.0 57.8 2.4 10.6 151 157 A K H X S+ 0 0 99 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.926 112.4 45.9 -66.1 -44.2 57.6 3.7 7.0 152 158 A I H X S+ 0 0 26 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.901 110.8 50.5 -64.0 -48.3 56.5 7.1 8.2 153 159 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.879 111.6 51.7 -59.5 -35.9 59.1 7.5 10.9 154 160 A S H X S+ 0 0 21 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.946 110.0 47.0 -63.6 -49.2 61.6 6.5 8.2 155 161 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 112.7 49.7 -60.1 -47.6 60.3 9.2 5.8 156 162 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.944 109.8 50.0 -56.7 -50.7 60.3 11.9 8.4 157 163 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.865 108.0 55.1 -59.5 -33.5 63.9 11.0 9.5 158 164 A C H X S+ 0 0 39 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.934 110.5 45.0 -63.8 -44.1 64.9 11.2 5.9 159 165 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.855 111.4 52.5 -63.2 -39.6 63.5 14.7 5.7 160 166 A Q H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.903 110.4 48.6 -64.6 -41.5 65.1 15.8 9.0 161 167 A N H X S+ 0 0 25 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.891 110.0 50.9 -67.8 -35.1 68.4 14.6 7.8 162 168 A Y H X S+ 0 0 25 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.965 110.4 49.7 -65.0 -48.3 68.0 16.4 4.5 163 169 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.903 108.9 53.0 -52.1 -45.1 67.1 19.6 6.5 164 170 A K H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.911 106.1 53.6 -58.7 -42.5 70.2 19.0 8.6 165 171 A D H X S+ 0 0 52 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.940 110.9 45.8 -55.0 -51.1 72.4 18.8 5.5 166 172 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.6 48.2 -64.6 -36.4 71.0 22.1 4.3 167 173 A Q H < S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.840 111.1 53.0 -70.5 -27.7 71.5 23.8 7.7 168 174 A N H < S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.721 85.1 99.9 -84.4 -22.0 75.0 22.5 7.9 169 175 A L S < S- 0 0 14 -4,-1.3 2,-0.1 -3,-0.2 -3,-0.0 -0.366 79.2-114.5 -62.2 140.9 76.3 23.8 4.5 170 176 A P >> - 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0 0 73 -91,-0.3 -89,-2.2 -2,-0.3 2,-0.4 -0.857 61.5-175.4 -74.2 120.3 44.3 31.2 8.5 422 444 A W E -j 332 0B 0 -2,-0.7 -66,-2.0 -91,-0.2 -65,-0.5 -0.964 30.1-175.1-137.2 138.1 47.9 31.6 9.4 423 445 A A E -jL 333 355B 0 -91,-2.6 -89,-2.8 -2,-0.4 2,-0.5 -0.989 10.3-156.8-129.1 147.9 50.6 30.3 11.9 424 446 A H E -jL 334 354B 0 -70,-2.8 -70,-2.0 -2,-0.4 2,-0.6 -0.984 3.8-162.0-124.0 123.2 54.1 31.4 12.4 425 447 A L E -jL 335 353B 0 -91,-2.9 -89,-2.3 -2,-0.5 2,-0.8 -0.936 5.8-156.9-105.6 118.1 56.7 29.1 13.9 426 448 A D E +jL 336 352B 0 -74,-2.9 -74,-1.6 -2,-0.6 4,-0.3 -0.861 18.6 173.6 -94.5 110.3 59.7 30.9 15.3 427 449 A I > + 0 0 0 -91,-2.4 4,-2.6 -2,-0.8 5,-0.4 0.212 38.0 116.9-110.5 14.3 62.3 28.1 15.2 428 450 A A H > S+ 0 0 0 -92,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.889 91.1 31.7 -46.0 -46.4 65.4 29.9 16.2 429 451 A G H > S+ 0 0 0 -3,-0.3 4,-2.0 -79,-0.2 3,-0.5 0.952 120.0 49.0 -76.7 -51.9 65.6 27.7 19.3 430 452 A S H 4 S+ 0 0 2 -80,-0.4 13,-0.4 -4,-0.3 -2,-0.2 0.734 114.8 43.4 -68.1 -21.7 64.1 24.5 18.0 431 453 A A H < S+ 0 0 0 -4,-2.6 10,-1.9 2,-0.1 11,-0.5 0.764 125.7 24.8 -93.2 -24.4 66.2 24.2 14.8 432 454 A X H < S- 0 0 44 -4,-0.7 7,-1.5 -3,-0.5 -2,-0.2 0.606 103.3-112.2-114.3 -22.3 69.7 25.2 16.0 433 455 A G < 0 0 12 -4,-2.0 -1,-0.3 5,-0.2 -2,-0.1 -0.210 360.0 360.0 88.9 168.7 69.8 24.4 19.7 434 456 A D 0 0 80 -2,-0.1 -1,-0.1 -4,-0.1 -87,-0.1 0.724 360.0 360.0-107.4 360.0 70.1 27.0 22.3 435 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 436 458 A A 0 0 127 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.9 75.2 25.6 24.1 437 459 A S - 0 0 71 2,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.866 360.0-174.2 -83.1 -40.6 74.4 22.6 21.9 438 460 A C + 0 0 116 1,-0.2 2,-0.4 0, 0.0 -5,-0.2 0.922 31.7 140.0 41.2 64.6 74.6 24.4 18.6 439 461 A K - 0 0 130 -7,-1.5 -1,-0.2 0, 0.0 2,-0.1 -0.996 57.9-114.2-140.2 132.2 73.5 21.4 16.5 440 462 A A - 0 0 14 -2,-0.4 -8,-0.2 1,-0.1 -276,-0.1 -0.414 30.3-178.0 -63.5 133.0 71.1 21.2 13.6 441 463 A S - 0 0 32 -10,-1.9 -1,-0.1 2,-0.2 -277,-0.1 0.640 34.1-127.2-111.2 -19.8 68.0 19.2 14.6 442 464 A G > - 0 0 0 -11,-0.5 3,-1.7 1,-0.3 -279,-0.1 0.583 53.8-176.7 80.9 6.5 65.9 19.0 11.4 443 465 A R T 3 + 0 0 40 -13,-0.4 -1,-0.3 1,-0.3 -2,-0.2 -0.545 49.5 24.3 -81.5 157.7 63.0 20.5 13.3 444 466 A P T 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 -0.586 92.0 100.3 -94.3 59.4 60.2 21.1 12.9 445 467 A V H <> S+ 0 0 0 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 0.899 85.1 52.1 -63.9 -40.6 60.1 18.5 10.1 446 468 A P H > S+ 0 0 4 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.903 109.5 49.0 -63.1 -42.7 58.4 15.9 12.3 447 469 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.933 111.4 49.1 -59.8 -49.1 55.7 18.3 13.4 448 470 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.860 109.2 50.8 -65.6 -37.1 54.9 19.4 9.9 449 471 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.891 110.5 49.6 -70.0 -37.7 54.6 15.9 8.5 450 472 A H H X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 112.5 48.7 -61.1 -43.5 52.3 14.8 11.3 451 473 A Y H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 113.1 46.5 -61.1 -48.7 50.2 17.9 10.6 452 474 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.846 111.4 51.6 -62.5 -37.5 50.1 17.2 6.9 453 475 A I H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.927 109.7 49.7 -66.7 -44.4 49.3 13.5 7.4 454 476 A S H X S+ 0 0 41 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.888 112.3 47.8 -58.6 -40.9 46.4 14.5 9.7 455 477 A Q H X S+ 0 0 9 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.878 109.6 53.8 -69.2 -36.9 45.1 17.0 7.1 456 478 A A H X S+ 0 0 3 -4,-2.2 4,-0.5 1,-0.2 3,-0.5 0.864 107.6 50.2 -64.7 -38.5 45.5 14.3 4.4 457 479 A K H >< S+ 0 0 149 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.883 104.0 57.5 -67.1 -38.2 43.4 11.9 6.4 458 480 A E H 3< S+ 0 0 132 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.694 97.1 67.2 -64.2 -19.0 40.6 14.5 6.9 459 481 A N H 3< 0 0 66 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.791 360.0 360.0 -66.5 -34.4 40.6 14.7 3.0 460 482 A L << 0 0 167 -3,-1.2 0, 0.0 -4,-0.5 0, 0.0 -0.612 360.0 360.0 -92.3 360.0 39.2 11.1 2.7