==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-OCT-09 3KED . COMPND 2 MOLECULE: AMINOPEPTIDASE N; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.ADDLAGATTA,R.GUMPENA . 867 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 1 0.1 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 . 62 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 2 0 1 1 0 2 1 5 1 3 2 2 0 4 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 3 5 0 5 1 3 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 1 3 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 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 5 A P 0 0 89 0, 0.0 2,-0.4 0, 0.0 366,-0.1 0.000 360.0 360.0 360.0 140.7 -51.7 58.5 29.0 2 6 A Q - 0 0 175 364,-0.1 2,-0.1 1,-0.0 363,-0.0 -0.722 360.0-128.5-106.6 139.2 -49.3 55.8 30.4 3 7 A A - 0 0 22 -2,-0.4 2,-0.3 361,-0.0 363,-0.2 -0.400 19.5-150.1 -74.0 148.2 -46.1 54.4 29.0 4 8 A K E -A 365 0A 142 361,-3.0 361,-2.4 -2,-0.1 2,-0.5 -0.939 8.9-143.0-119.1 157.1 -45.6 50.6 28.8 5 9 A Y E > -A 364 0A 88 -2,-0.3 3,-1.9 359,-0.2 359,-0.2 -0.950 15.6-141.6-128.3 129.5 -42.3 48.8 29.0 6 10 A R G > S+ 0 0 65 357,-1.8 3,-1.9 -2,-0.5 -1,-0.1 0.838 103.1 61.8 -51.4 -40.4 -40.9 45.8 27.3 7 11 A H G 3 S+ 0 0 134 356,-0.4 -1,-0.3 1,-0.3 357,-0.1 0.677 95.2 65.3 -66.2 -15.6 -39.1 44.6 30.5 8 12 A D G < + 0 0 91 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.416 69.8 133.6 -84.2 3.2 -42.7 44.3 32.1 9 13 A Y < + 0 0 58 -3,-1.9 2,-0.3 -4,-0.1 299,-0.0 -0.302 29.6 174.6 -54.6 132.1 -43.8 41.6 29.7 10 14 A R - 0 0 167 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.992 38.8-103.4-133.1 144.1 -45.5 38.7 31.7 11 15 A A - 0 0 71 -2,-0.3 2,-0.1 1,-0.1 0, 0.0 -0.227 55.5 -93.4 -54.3 148.0 -47.2 35.6 30.3 12 16 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.414 18.0-135.2 -70.3 147.7 -51.0 36.2 30.6 13 17 A D S S+ 0 0 75 28,-0.1 28,-3.0 34,-0.1 29,-1.9 0.733 92.6 32.5 -63.2 -23.4 -53.1 34.9 33.6 14 18 A Y E -B 40 0B 6 26,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.986 67.8-157.7-136.5 146.5 -55.7 33.6 31.2 15 19 A Q E -B 39 0B 43 24,-2.9 24,-2.8 -2,-0.3 2,-0.4 -0.867 8.8-148.0-115.8 156.1 -55.7 32.1 27.7 16 20 A I E -B 38 0B 2 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.982 13.7-179.5-117.4 133.0 -58.6 32.0 25.3 17 21 A T E + 0 0 49 20,-2.3 119,-2.1 -2,-0.4 2,-0.3 0.661 66.6 13.0-108.0 -25.8 -58.5 28.9 23.0 18 22 A D E -Bc 37 136B 43 19,-0.9 19,-2.5 117,-0.3 2,-0.4 -0.986 59.0-167.9-152.0 144.1 -61.6 29.5 20.8 19 23 A I E -Bc 36 137B 0 117,-2.6 119,-1.7 -2,-0.3 2,-0.6 -0.997 7.2-160.1-140.2 133.3 -64.0 32.3 20.1 20 24 A D E -Bc 35 138B 65 15,-2.8 15,-2.8 -2,-0.4 2,-0.4 -0.957 17.4-168.0-110.6 116.8 -67.3 32.4 18.4 21 25 A L E -Bc 34 139B 1 117,-2.8 119,-2.8 -2,-0.6 2,-0.4 -0.813 10.7-172.6-109.5 136.3 -68.4 35.8 17.2 22 26 A T E -Bc 33 140B 40 11,-2.3 11,-2.5 -2,-0.4 2,-0.6 -0.993 6.4-164.7-125.4 125.8 -71.8 36.9 15.9 23 27 A F E -Bc 32 141B 0 117,-2.5 119,-2.9 -2,-0.4 2,-1.0 -0.949 10.8-163.2-110.0 120.2 -72.2 40.4 14.4 24 28 A D E -Bc 31 142B 55 7,-3.1 7,-2.2 -2,-0.6 2,-0.2 -0.863 35.2-146.4 -97.0 97.4 -75.6 41.6 14.0 25 29 A L + 0 0 8 117,-2.7 119,-0.4 -2,-1.0 2,-0.3 -0.459 39.4 139.4 -87.0 135.2 -74.5 44.3 11.6 26 30 A D - 0 0 75 -2,-0.2 71,-0.2 117,-0.1 -2,-0.1 -0.917 49.8-125.2-162.1 140.3 -75.9 47.8 11.1 27 31 A A S S+ 0 0 11 -2,-0.3 70,-2.9 1,-0.2 71,-0.3 0.843 110.0 38.7 -58.4 -35.4 -74.0 51.1 10.4 28 32 A Q S S+ 0 0 135 1,-0.3 2,-0.3 68,-0.2 -1,-0.2 0.882 133.9 9.2 -83.3 -41.9 -75.6 53.0 13.4 29 33 A K - 0 0 113 66,-0.1 2,-0.4 67,-0.1 -1,-0.3 -0.909 64.8-175.4-145.3 111.3 -75.7 50.1 16.0 30 34 A T E - D 0 94B 0 64,-2.7 64,-1.9 -2,-0.3 2,-0.5 -0.894 16.0-146.2-106.7 136.8 -74.0 46.8 15.6 31 35 A V E -BD 24 93B 40 -7,-2.2 -7,-3.1 -2,-0.4 2,-0.5 -0.908 13.0-162.5-106.0 129.8 -74.5 44.1 18.2 32 36 A V E -BD 23 92B 0 60,-3.0 60,-2.2 -2,-0.5 2,-0.5 -0.939 8.5-169.9-115.1 125.3 -71.7 41.8 18.9 33 37 A T E -BD 22 91B 30 -11,-2.5 -11,-2.3 -2,-0.5 2,-0.5 -0.969 9.1-173.7-110.2 128.3 -72.0 38.4 20.7 34 38 A A E -BD 21 90B 3 56,-2.9 56,-2.5 -2,-0.5 2,-0.6 -0.973 7.9-172.5-127.8 115.2 -68.6 36.8 21.7 35 39 A V E -BD 20 89B 35 -15,-2.8 -15,-2.8 -2,-0.5 2,-0.4 -0.939 14.8-177.1-111.4 115.5 -68.5 33.4 23.2 36 40 A S E -BD 19 88B 3 52,-3.2 52,-3.0 -2,-0.6 2,-0.6 -0.921 24.6-143.2-119.6 136.4 -64.9 32.5 24.3 37 41 A Q E -BD 18 87B 63 -19,-2.5 -20,-2.3 -2,-0.4 -19,-0.9 -0.879 35.4-172.8 -94.3 125.4 -63.6 29.3 25.8 38 42 A A E -BD 16 86B 4 48,-3.2 48,-1.5 -2,-0.6 2,-0.4 -0.769 21.1-160.4-128.2 159.3 -61.1 30.4 28.4 39 43 A V E -BD 15 85B 17 -24,-2.8 -24,-2.9 -2,-0.3 2,-0.5 -0.984 16.8-136.7-140.9 128.4 -58.5 28.8 30.7 40 44 A R E +B 14 0B 26 44,-2.5 -26,-0.3 -2,-0.4 -27,-0.1 -0.753 24.9 170.3 -83.5 122.1 -56.9 30.3 33.8 41 45 A H + 0 0 127 -28,-3.0 -27,-0.2 -2,-0.5 -1,-0.1 0.655 61.5 57.0-100.8 -21.1 -53.1 29.7 34.1 42 46 A G S S- 0 0 28 -29,-1.9 -2,-0.0 1,-0.2 -29,-0.0 -0.160 103.0 -37.1-100.0-163.5 -52.4 32.0 37.0 43 47 A A > - 0 0 54 1,-0.1 3,-2.6 2,-0.1 -1,-0.2 -0.152 52.0-118.8 -58.7 141.6 -53.6 32.3 40.6 44 48 A S T 3 S+ 0 0 85 1,-0.3 38,-0.3 -3,-0.1 37,-0.2 0.720 113.1 51.3 -51.3 -23.0 -57.3 31.6 41.5 45 49 A D T 3 S+ 0 0 138 36,-0.1 -1,-0.3 35,-0.1 -2,-0.1 0.205 81.2 101.4-105.9 13.3 -57.6 35.1 42.8 46 50 A A S < S- 0 0 17 -3,-2.6 36,-0.2 -33,-0.1 -4,-0.1 -0.840 70.1-133.9 -91.2 128.8 -56.2 37.1 39.8 47 51 A P - 0 0 24 0, 0.0 2,-0.6 0, 0.0 33,-0.2 -0.423 16.9-104.9 -83.5 166.6 -59.2 38.4 37.8 48 52 A L E -I 79 0C 2 31,-2.7 31,-3.0 -2,-0.1 2,-0.7 -0.800 34.7-161.6 -79.9 119.6 -59.6 38.3 34.1 49 53 A R E -I 78 0C 141 -2,-0.6 2,-0.5 29,-0.2 29,-0.2 -0.912 6.3-168.1-107.6 111.8 -58.9 41.8 32.7 50 54 A L E -I 77 0C 0 27,-3.1 27,-1.9 -2,-0.7 78,-0.2 -0.837 19.1-126.9 -97.6 135.3 -60.3 42.2 29.2 51 55 A N E +IJ 76 127C 41 76,-2.4 76,-1.8 -2,-0.5 2,-0.3 -0.536 38.2 161.8 -71.2 144.5 -59.4 45.3 27.1 52 56 A G - 0 0 3 23,-1.8 2,-0.4 -2,-0.2 71,-0.2 -0.941 18.7-168.6-163.6 139.1 -62.3 47.3 25.7 53 57 A E S S- 0 0 61 69,-2.4 21,-0.0 -2,-0.3 -2,-0.0 -0.991 72.2 -12.7-134.5 131.5 -62.6 50.8 24.3 54 58 A D S S+ 0 0 148 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.907 90.6 145.6 50.5 49.5 -65.9 52.7 23.6 55 59 A L - 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0 0 31 -4,-1.8 3,-0.0 -5,-0.3 -4,-0.0 -0.227 44.7-163.7 -49.3 136.9 -48.5 60.6 -23.4 704 708 A N S S+ 0 0 90 -42,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.257 75.5 42.4-104.5 11.5 -50.3 57.3 -23.8 705 709 A N S > S- 0 0 6 -428,-0.1 4,-1.9 1,-0.0 -428,-0.2 -0.979 83.6-116.2-150.8 163.2 -49.7 56.5 -20.1 706 710 A M H > S+ 0 0 5 -430,-2.4 4,-2.7 -427,-0.6 5,-0.3 0.746 109.4 64.7 -76.8 -22.1 -49.9 58.3 -16.7 707 711 A T H > S+ 0 0 18 -428,-0.5 4,-2.1 -431,-0.4 -1,-0.2 0.970 108.0 38.7 -63.5 -50.3 -46.1 57.9 -16.1 708 712 A D H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.896 118.8 48.4 -72.0 -30.3 -45.2 60.1 -19.1 709 713 A A H X S+ 0 0 15 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.914 112.0 47.5 -75.6 -41.8 -48.0 62.6 -18.5 710 714 A L H X S+ 0 0 34 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.889 107.6 55.7 -64.9 -40.0 -47.3 63.0 -14.8 711 715 A A H X S+ 0 0 23 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.906 113.0 44.3 -58.4 -41.1 -43.6 63.5 -15.4 712 716 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.953 114.7 46.2 -63.3 -52.4 -44.5 66.3 -17.8 713 717 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 -2,-0.2 0.925 114.0 50.7 -64.9 -32.5 -47.1 67.9 -15.5 714 718 A S H X S+ 0 0 21 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.3 0.903 109.0 48.8 -74.7 -37.0 -44.7 67.6 -12.7 715 719 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 6,-0.2 0.906 107.9 56.6 -68.7 -35.5 -41.7 69.2 -14.5 716 720 A A H <>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 8,-0.2 0.881 111.8 41.9 -60.8 -41.8 -44.1 72.1 -15.6 717 721 A V H ><5S+ 0 0 5 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.2 0.922 114.5 50.5 -70.0 -43.5 -44.9 72.8 -11.9 718 722 A A H 3<5S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.860 119.8 35.2 -66.0 -39.9 -41.3 72.4 -10.6 719 723 A A T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.314 105.6-127.6 -99.5 6.1 -39.8 74.7 -13.1 720 724 A Q T < 5 - 0 0 91 -3,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.898 40.3-173.4 52.4 48.5 -42.8 77.0 -13.2 721 725 A L > < - 0 0 12 -5,-2.1 3,-2.1 -6,-0.2 4,-0.3 -0.368 35.7-108.0 -75.7 156.6 -43.1 76.8 -16.9 722 726 A P T > S+ 0 0 90 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.818 116.9 54.1 -51.9 -36.3 -45.6 79.0 -18.9 723 727 A C T 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.466 80.4 102.7 -81.9 -1.6 -48.0 76.1 -19.7 724 728 A R H <> S+ 0 0 56 -3,-2.1 4,-2.6 -8,-0.2 5,-0.2 0.869 78.2 44.7 -50.9 -52.0 -48.3 75.1 -16.0 725 729 A D H <> S+ 0 0 105 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.894 114.1 49.5 -66.1 -36.5 -51.8 76.5 -15.2 726 730 A A H > S+ 0 0 56 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.955 113.7 45.2 -68.1 -51.1 -53.3 75.2 -18.4 727 731 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 114.2 49.9 -58.2 -40.7 -51.9 71.7 -17.9 728 732 A M H X S+ 0 0 11 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.910 110.5 49.4 -66.4 -37.3 -52.9 71.7 -14.2 729 733 A Q H X S+ 0 0 94 -4,-2.1 4,-3.3 -5,-0.2 -1,-0.2 0.920 109.4 53.0 -72.6 -36.9 -56.4 72.8 -15.1 730 734 A E H X S+ 0 0 79 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.884 107.5 50.1 -61.7 -40.7 -56.8 70.1 -17.7 731 735 A Y H X S+ 0 0 6 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.962 111.6 48.5 -67.6 -44.9 -55.8 67.4 -15.3 732 736 A D H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.966 112.8 48.3 -52.4 -56.0 -58.4 68.7 -12.8 733 737 A D H < S+ 0 0 88 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 119.0 39.6 -57.2 -38.8 -61.1 68.8 -15.5 734 738 A K H < S+ 0 0 129 -4,-2.6 -1,-0.2 -5,-0.2 3,-0.2 0.884 128.6 26.3 -75.6 -36.8 -60.3 65.4 -16.7 735 739 A W H >< S+ 0 0 21 -4,-3.1 3,-2.9 -5,-0.2 7,-0.3 0.546 77.4 111.5-114.9 -3.3 -59.7 63.6 -13.3 736 740 A H T 3< S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.670 78.9 56.8 -46.2 -29.3 -61.6 65.4 -10.5 737 741 A Q T 3 S+ 0 0 123 -3,-0.2 2,-0.7 -5,-0.2 -1,-0.3 0.557 94.7 77.8 -84.9 -4.8 -64.0 62.5 -9.9 738 742 A N <> - 0 0 28 -3,-2.9 4,-2.5 1,-0.2 5,-0.2 -0.834 59.9-170.7-109.8 98.5 -61.1 60.1 -9.3 739 743 A G H > S+ 0 0 20 -2,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.892 86.1 51.3 -52.3 -49.9 -59.5 60.5 -5.8 740 744 A L H > S+ 0 0 25 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.924 114.9 44.1 -60.5 -38.4 -56.4 58.2 -6.4 741 745 A V H >> S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.908 111.3 53.0 -71.3 -36.8 -55.6 60.2 -9.6 742 746 A M H 3X S+ 0 0 0 -4,-2.5 4,-3.1 -7,-0.3 5,-0.3 0.766 94.3 71.5 -68.6 -24.4 -56.3 63.5 -7.9 743 747 A D H 3X S+ 0 0 16 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.911 95.9 53.3 -57.4 -41.9 -53.8 62.6 -5.0 744 748 A K H < S+ 0 0 36 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.946 113.0 48.3 -62.1 -47.1 -49.9 71.6 -5.7 750 754 A A H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 30,-0.3 -2,-0.2 0.785 117.3 40.9 -65.5 -33.6 -48.5 71.0 -2.1 751 755 A T T 3< S+ 0 0 43 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.150 83.5 132.5-102.0 13.6 -44.9 70.7 -3.3 752 756 A S < - 0 0 9 -3,-1.4 -34,-0.1 1,-0.1 5,-0.1 -0.418 54.5-143.2 -62.3 144.8 -45.0 73.5 -5.8 753 757 A P + 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.415 60.0 128.9 -83.6 3.9 -42.0 76.0 -5.5 754 758 A A > - 0 0 10 1,-0.1 3,-1.4 -37,-0.1 -37,-0.0 -0.280 69.3-122.6 -60.7 150.5 -44.4 78.9 -6.4 755 759 A A T 3 S+ 0 0 110 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.770 109.9 48.0 -64.5 -27.0 -44.3 81.9 -3.9 756 760 A N T 3> S+ 0 0 73 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.168 72.3 124.3-103.7 26.9 -48.0 81.6 -3.1 757 761 A V H <> S+ 0 0 10 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.858 72.0 51.9 -56.7 -40.6 -48.1 77.8 -2.4 758 762 A L H > S+ 0 0 28 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.937 109.2 51.2 -59.4 -47.3 -49.5 78.0 1.1 759 763 A E H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.929 112.8 45.5 -53.2 -46.8 -52.3 80.3 -0.1 760 764 A T H X S+ 0 0 47 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.936 111.6 52.1 -68.4 -41.6 -53.2 77.7 -2.9 761 765 A V H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.922 109.0 49.3 -62.0 -45.0 -53.0 74.8 -0.5 762 766 A R H >< S+ 0 0 87 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.922 110.6 51.1 -58.8 -42.2 -55.4 76.5 1.9 763 767 A G H >< S+ 0 0 46 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.898 101.2 63.8 -61.6 -37.1 -57.8 77.2 -1.0 764 768 A L H >< S+ 0 0 14 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.691 81.0 78.4 -63.2 -17.1 -57.5 73.5 -2.0 765 769 A L T << S+ 0 0 35 -3,-1.2 -1,-0.3 -4,-0.7 7,-0.2 0.727 99.5 44.8 -58.2 -19.4 -59.2 72.5 1.3 766 770 A Q T < S+ 0 0 164 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.304 86.5 128.6-101.3 2.1 -62.4 73.6 -0.5 767 771 A H S X S- 0 0 27 -3,-1.9 3,-1.8 1,-0.1 -3,-0.0 -0.358 70.2-118.6 -70.5 144.0 -61.6 71.8 -3.7 768 772 A R T 3 S+ 0 0 137 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.716 113.7 44.3 -46.5 -29.8 -64.3 69.4 -5.1 769 773 A S T 3 S+ 0 0 14 -5,-0.1 2,-0.3 -27,-0.1 -1,-0.3 0.450 97.8 86.8 -99.5 -4.9 -61.9 66.3 -4.8 770 774 A F < + 0 0 16 -3,-1.8 2,-0.3 -6,-0.2 -31,-0.0 -0.750 47.4 168.2 -89.9 143.1 -60.5 67.1 -1.3 771 775 A T > - 0 0 58 -2,-0.3 3,-1.7 3,-0.2 7,-0.3 -0.917 36.2-141.5-149.5 135.8 -62.1 65.9 1.9 772 776 A M T 3 S+ 0 0 30 -2,-0.3 6,-0.1 1,-0.3 -1,-0.0 0.641 100.1 69.9 -58.9 -14.8 -60.8 65.8 5.6 773 777 A S T 3 S+ 0 0 53 1,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.524 87.1 72.5 -84.7 -1.6 -62.6 62.5 6.0 774 778 A N <> - 0 0 4 -3,-1.7 4,-2.3 1,-0.1 3,-0.3 -0.928 64.5-156.6-120.5 113.2 -60.2 60.6 3.7 775 779 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.800 95.1 57.3 -53.2 -34.0 -56.6 59.9 4.9 776 780 A N H > S+ 0 0 9 -524,-0.3 4,-2.4 2,-0.2 5,-0.1 0.946 110.5 43.3 -67.4 -47.9 -55.3 59.6 1.3 777 781 A R H > S+ 0 0 22 -3,-0.3 4,-1.7 2,-0.2 5,-0.4 0.908 112.9 52.2 -63.6 -40.5 -56.5 63.1 0.5 778 782 A I H X>S+ 0 0 1 -4,-2.3 5,-1.8 -7,-0.3 4,-1.7 0.954 113.6 44.5 -59.7 -48.0 -55.2 64.5 3.8 779 783 A R H <>S+ 0 0 80 -4,-2.6 5,-1.2 1,-0.2 -1,-0.2 0.871 111.7 52.4 -64.5 -37.7 -51.8 63.0 3.1 780 784 A S H <5S+ 0 0 12 -4,-2.4 -30,-0.3 -5,-0.2 -1,-0.2 0.778 125.2 22.3 -69.7 -29.8 -51.7 64.1 -0.5 781 785 A L H X5S+ 0 0 0 -4,-1.7 4,-1.3 -3,-0.3 -2,-0.2 0.864 135.8 24.7-102.3 -60.1 -52.4 67.7 0.2 782 786 A I H X5S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.4 5,-0.3 0.938 124.6 46.1 -77.4 -49.7 -51.5 68.5 3.9 783 787 A G H >XS+ 0 0 16 -5,-1.8 4,-2.9 1,-0.2 5,-0.5 0.870 112.7 51.1 -65.3 -35.1 -48.9 65.8 4.5 784 788 A A H >X + 0 0 15 -4,-1.7 4,-3.4 -5,-0.2 3,-0.9 -0.559 59.0 159.2-116.8 66.4 -42.4 71.1 0.8 790 794 A P H 3> S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -159,-0.1 0.867 70.0 60.1 -58.9 -32.8 -39.8 72.0 3.6 791 795 A A H 34 S+ 0 0 27 -161,-0.3 -160,-0.1 1,-0.2 -2,-0.0 0.880 116.6 31.2 -61.9 -38.7 -39.0 75.4 2.0 792 796 A A H X4 S+ 0 0 18 -3,-0.9 3,-1.8 -7,-0.2 8,-0.3 0.859 115.8 57.2 -89.1 -38.6 -42.6 76.5 2.3 793 797 A F H 3< S+ 0 0 1 -4,-3.4 8,-0.3 -8,-0.4 -2,-0.2 0.854 112.6 43.5 -58.4 -32.3 -43.4 74.7 5.4 794 798 A H T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 -0.025 80.2 157.8-107.9 27.3 -40.5 76.5 7.1 795 799 A A X - 0 0 26 -3,-1.8 3,-2.0 1,-0.1 5,-0.2 -0.232 53.0-116.0 -39.0 139.3 -41.3 79.9 5.7 796 800 A E T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.772 112.2 60.5 -60.6 -31.4 -39.6 82.5 8.0 797 801 A D T 3 S- 0 0 116 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.434 108.8-122.5 -77.3 3.2 -42.9 84.1 9.1 798 802 A G <> + 0 0 3 -3,-2.0 4,-1.8 1,-0.1 5,-0.2 0.597 69.4 135.7 66.8 14.9 -44.0 80.7 10.5 799 803 A S H > + 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.819 67.9 58.7 -61.8 -31.3 -47.2 80.5 8.4 800 804 A G H > S+ 0 0 0 -8,-0.3 4,-2.2 -5,-0.2 -1,-0.2 0.933 106.1 46.7 -64.3 -44.7 -46.4 76.8 7.7 801 805 A Y H > S+ 0 0 3 -8,-0.3 4,-2.5 -6,-0.2 -1,-0.2 0.894 110.9 51.9 -63.0 -37.6 -46.4 75.9 11.3 802 806 A L H X S+ 0 0 98 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.943 108.8 51.4 -68.2 -43.8 -49.7 77.8 12.0 803 807 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.927 110.6 47.2 -54.7 -50.6 -51.4 76.0 9.1 804 808 A L H X S+ 0 0 1 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.918 108.4 57.1 -62.8 -39.9 -50.3 72.5 10.4 805 809 A V H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.958 107.4 47.7 -55.5 -50.0 -51.5 73.5 13.8 806 810 A E H X S+ 0 0 88 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.905 114.0 46.7 -56.8 -41.2 -55.0 74.2 12.4 807 811 A M H X S+ 0 0 15 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.911 112.3 49.3 -70.1 -37.4 -55.2 71.0 10.5 808 812 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.828 102.6 62.5 -76.8 -22.6 -53.9 69.0 13.5 809 813 A T H X S+ 0 0 59 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.898 110.7 39.1 -63.8 -40.6 -56.5 70.6 15.7 810 814 A D H >X S+ 0 0 54 -4,-1.4 4,-1.9 -3,-0.2 3,-1.2 0.961 118.6 47.7 -64.3 -54.9 -59.2 69.1 13.5 811 815 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 8,-0.4 0.763 95.7 70.4 -67.2 -29.9 -57.4 65.7 13.0 812 816 A N H 3< S+ 0 0 6 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.884 113.6 30.7 -53.0 -37.8 -56.5 65.2 16.7 813 817 A S H << S+ 0 0 90 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.784 125.6 44.1 -86.8 -36.4 -60.3 64.6 17.3 814 818 A R H < S- 0 0 78 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.967 134.7 -7.6 -75.6 -48.0 -61.2 63.1 13.9 815 819 A N >X - 0 0 6 -4,-2.4 4,-2.5 -5,-0.1 3,-0.6 -0.685 56.9-174.4-159.4 79.1 -58.3 60.6 13.2 816 820 A P H 3> S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.834 83.6 60.8 -55.4 -35.5 -55.4 60.7 15.6 817 821 A Q H 3> S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.941 110.2 40.9 -62.1 -39.7 -53.4 58.1 13.6 818 822 A V H <> S+ 0 0 2 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.900 112.7 55.7 -72.8 -35.3 -53.3 60.4 10.6 819 823 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 -8,-0.4 -2,-0.2 0.923 106.7 51.8 -56.3 -40.6 -52.7 63.4 12.9 820 824 A S H X S+ 0 0 3 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.890 106.9 49.7 -75.8 -35.1 -49.7 61.6 14.3 821 825 A R H >< S+ 0 0 126 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.911 113.4 50.9 -57.1 -41.7 -48.1 61.0 10.8 822 826 A L H 3< S+ 0 0 6 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.710 100.8 58.8 -74.9 -21.3 -48.7 64.7 10.0 823 827 A I H >X S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.2 4,-1.3 0.722 79.9 93.9 -78.7 -18.2 -47.1 66.1 13.2 824 828 A E H XX S+ 0 0 28 -4,-0.7 3,-0.6 -3,-0.6 4,-0.5 0.849 77.7 55.6 -48.8 -45.5 -43.8 64.5 12.4 825 829 A P H >4 S+ 0 0 25 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.856 106.7 52.5 -60.9 -26.2 -42.3 67.5 10.5 826 830 A L H X4 S+ 0 0 0 -3,-2.1 3,-1.2 -4,-0.2 -2,-0.2 0.825 98.8 62.2 -79.6 -27.5 -42.9 69.7 13.5 827 831 A I H << S+ 0 0 0 -4,-1.3 3,-0.4 -3,-0.6 -1,-0.2 0.554 87.9 73.5 -78.0 1.1 -41.1 67.4 16.0 828 832 A R T X< + 0 0 46 -3,-0.7 3,-2.7 -4,-0.5 4,-0.3 0.312 59.4 124.9 -87.1 14.1 -37.9 67.8 14.1 829 833 A L G X + 0 0 0 -3,-1.2 3,-1.8 1,-0.3 -1,-0.2 0.746 59.6 66.2 -47.8 -30.4 -37.5 71.4 15.5 830 834 A K G 3 S+ 0 0 108 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.615 90.9 64.0 -73.8 -7.0 -34.0 70.8 16.9 831 835 A R G < S+ 0 0 34 -3,-2.7 -203,-3.5 -204,-0.1 -1,-0.3 0.475 96.8 77.8 -83.3 -6.3 -32.5 70.4 13.4 832 836 A Y S < S- 0 0 21 -3,-1.8 -203,-0.1 -4,-0.3 5,-0.0 -0.606 91.0 -87.1-110.6 164.7 -33.4 74.0 12.7 833 837 A D >> - 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