==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 06-JUN-11 2YM9 . COMPND 2 MOLECULE: CELL INVASION PROTEIN SIPD; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR M.LUNELLI,M.KOLBE . 925 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 80.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 3 0.3 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 . 47 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 504 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 0 2 0 2 0 3 2 2 1 3 1 1 1 1 0 0 1 3 1 1 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 3 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 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 32 A A 0 0 118 0, 0.0 4,-0.1 0, 0.0 752,-0.0 0.000 360.0 360.0 360.0 99.6 51.2 -65.8 -43.5 2 33 A V + 0 0 133 2,-0.1 3,-0.0 0, 0.0 752,-0.0 0.398 360.0 102.4 -98.9 0.2 48.7 -63.8 -45.6 3 34 A V S S- 0 0 23 1,-0.1 752,-0.0 0, 0.0 2,-0.0 -0.667 84.2-100.8 -86.2 137.4 45.7 -65.6 -44.1 4 35 A P - 0 0 113 0, 0.0 2,-0.2 0, 0.0 757,-0.1 -0.303 45.1-179.3 -60.2 134.9 43.6 -63.7 -41.4 5 36 A S - 0 0 29 -4,-0.1 3,-0.1 296,-0.1 757,-0.1 -0.695 33.7-126.8-124.5 178.1 44.4 -64.7 -37.8 6 37 A T S S+ 0 0 21 -2,-0.2 295,-1.2 1,-0.2 2,-0.3 0.550 88.6 24.0-105.1 -11.6 43.0 -63.5 -34.5 7 38 A T - 0 0 10 293,-0.2 -1,-0.2 2,-0.2 295,-0.1 -0.995 63.6-131.8-152.7 152.5 46.3 -62.7 -32.7 8 39 A E S S+ 0 0 170 -2,-0.3 57,-0.1 293,-0.1 294,-0.1 0.522 82.0 104.3 -80.8 -5.2 49.8 -61.7 -33.6 9 40 A H S S- 0 0 13 288,-0.2 2,-0.2 1,-0.1 -2,-0.2 -0.280 75.6-113.0 -73.6 159.7 50.9 -64.5 -31.2 10 41 A R > - 0 0 179 1,-0.1 4,-3.8 -2,-0.0 5,-0.2 -0.590 20.9-116.6 -91.5 159.4 52.2 -67.8 -32.3 11 42 A G H > S+ 0 0 14 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.913 123.9 48.0 -58.8 -40.1 50.4 -71.1 -31.7 12 43 A T H > S+ 0 0 75 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.782 112.2 50.4 -70.8 -26.4 53.3 -72.0 -29.5 13 44 A D H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.937 107.5 52.5 -73.3 -50.6 53.0 -68.6 -27.8 14 45 A I H X S+ 0 0 0 -4,-3.8 4,-2.5 1,-0.3 -2,-0.2 0.842 104.9 55.9 -54.4 -39.0 49.3 -69.1 -27.2 15 46 A I H X S+ 0 0 7 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.3 0.890 110.9 45.1 -61.7 -39.1 49.9 -72.4 -25.6 16 47 A S H X S+ 0 0 17 -4,-1.0 4,-2.3 -3,-0.5 -2,-0.2 0.953 111.8 49.8 -69.3 -51.3 52.3 -70.7 -23.1 17 48 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.900 113.3 49.9 -53.5 -42.3 49.9 -67.8 -22.5 18 49 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.975 109.7 46.7 -62.0 -58.1 47.2 -70.3 -21.8 19 50 A Q H X S+ 0 0 91 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.831 110.8 56.1 -55.2 -31.7 49.2 -72.5 -19.4 20 51 A A H X S+ 0 0 1 -4,-2.3 4,-3.8 2,-0.2 -1,-0.2 0.944 106.0 48.5 -65.1 -48.8 50.2 -69.3 -17.6 21 52 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.899 112.1 51.3 -58.2 -42.0 46.6 -68.3 -17.1 22 53 A T H X S+ 0 0 25 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.988 115.3 40.0 -56.4 -62.1 45.9 -71.8 -15.8 23 54 A K H X S+ 0 0 50 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.888 113.6 55.2 -55.9 -44.8 48.8 -71.7 -13.3 24 55 A I H X S+ 0 0 1 -4,-3.8 4,-2.7 -5,-0.2 -1,-0.2 0.954 115.3 38.7 -54.8 -51.7 48.1 -68.1 -12.4 25 56 A H H X S+ 0 0 2 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.922 114.4 51.1 -69.4 -41.8 44.5 -68.9 -11.5 26 57 A Q H X S+ 0 0 67 -4,-3.5 4,-2.5 -5,-0.2 -1,-0.2 0.889 113.6 49.1 -61.8 -34.2 45.2 -72.3 -9.8 27 58 A A H X S+ 0 0 1 -4,-2.6 4,-3.3 -5,-0.3 5,-0.2 0.968 111.3 47.3 -65.8 -54.2 47.8 -70.4 -7.8 28 59 A Q H X S+ 0 0 6 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.840 115.0 46.9 -57.2 -36.5 45.5 -67.6 -6.9 29 60 A Q H X S+ 0 0 61 -4,-2.8 4,-1.3 2,-0.2 3,-0.4 0.911 113.9 47.6 -72.5 -42.7 42.8 -70.2 -5.9 30 61 A T H >X S+ 0 0 33 -4,-2.5 4,-2.7 -5,-0.3 3,-0.6 0.951 111.4 50.0 -60.8 -51.3 45.2 -72.3 -3.9 31 62 A L H 3< S+ 0 0 7 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.677 115.2 44.3 -62.9 -18.5 46.6 -69.3 -2.1 32 63 A Q H 3< S+ 0 0 29 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.608 120.8 36.2-102.5 -14.3 43.1 -68.1 -1.2 33 64 A S H << S+ 0 0 31 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.2 0.647 105.2 68.8-110.4 -21.8 41.6 -71.4 -0.1 34 65 A T S < S- 0 0 20 -4,-2.7 -1,-0.2 -5,-0.2 11,-0.0 -0.871 73.4-152.8-104.8 102.7 44.6 -73.1 1.6 35 66 A P > - 0 0 5 0, 0.0 2,-2.3 0, 0.0 3,-0.5 -0.395 24.9-112.2 -73.5 149.0 45.5 -71.4 4.9 36 67 A P T 3 S+ 0 0 0 0, 0.0 89,-0.2 0, 0.0 3,-0.1 -0.444 81.5 113.6 -79.3 70.1 49.1 -71.5 6.2 37 68 A I T 3 + 0 0 24 -2,-2.3 2,-0.3 1,-0.2 89,-0.1 0.530 69.9 38.1-117.6 -10.8 48.1 -73.6 9.2 38 69 A S S <> S- 0 0 31 -3,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.953 77.3-119.8-137.4 157.3 49.9 -76.9 8.5 39 70 A E H > S+ 0 0 119 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.904 116.7 51.8 -62.5 -40.9 53.3 -77.8 7.0 40 71 A E H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 108.0 52.6 -61.1 -44.6 51.6 -79.7 4.2 41 72 A N H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.918 108.3 49.6 -56.7 -47.1 49.4 -76.7 3.5 42 73 A N H X S+ 0 0 17 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.856 105.7 57.7 -62.7 -34.1 52.4 -74.5 3.2 43 74 A D H X S+ 0 0 96 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.899 107.7 47.4 -62.4 -39.9 54.0 -77.0 0.8 44 75 A E H X S+ 0 0 105 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.858 112.2 48.5 -69.9 -36.8 51.0 -76.7 -1.5 45 76 A R H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.962 113.1 48.4 -65.1 -50.6 51.1 -72.8 -1.4 46 77 A T H X S+ 0 0 40 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.912 112.6 49.4 -53.4 -46.2 54.8 -72.9 -2.1 47 78 A L H X S+ 0 0 84 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.927 105.6 55.0 -62.4 -46.6 54.2 -75.3 -5.0 48 79 A A H X S+ 0 0 11 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.862 111.4 46.6 -55.9 -36.3 51.4 -73.2 -6.5 49 80 A R H X S+ 0 0 5 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.884 109.4 52.5 -75.2 -38.2 53.8 -70.3 -6.6 50 81 A Q H X S+ 0 0 102 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.950 110.9 47.7 -61.9 -46.7 56.7 -72.3 -8.1 51 82 A Q H X S+ 0 0 83 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.842 110.8 51.4 -62.3 -33.7 54.4 -73.6 -10.9 52 83 A L H X S+ 0 0 0 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.3 0.805 111.1 50.3 -70.6 -30.1 53.2 -70.0 -11.5 53 84 A T H X S+ 0 0 27 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.945 108.8 49.3 -72.0 -49.2 56.9 -69.1 -11.6 54 85 A S H X S+ 0 0 67 -4,-3.0 4,-2.7 1,-0.3 5,-0.2 0.943 107.4 55.3 -54.4 -49.2 57.8 -71.8 -14.1 55 86 A S H X S+ 0 0 13 -4,-2.3 4,-1.4 1,-0.2 -1,-0.3 0.863 108.7 49.7 -52.7 -37.6 54.9 -70.7 -16.3 56 87 A L H X S+ 0 0 1 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.919 107.5 51.3 -70.0 -43.8 56.4 -67.2 -16.3 57 88 A N H X S+ 0 0 70 -4,-2.5 4,-3.7 1,-0.2 5,-0.3 0.922 107.0 55.8 -58.4 -41.8 59.8 -68.4 -17.2 58 89 A A H X S+ 0 0 39 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.886 107.4 49.7 -55.9 -40.0 58.2 -70.2 -20.1 59 90 A L H X>S+ 0 0 0 -4,-1.4 5,-1.6 -5,-0.2 4,-0.7 0.938 114.6 42.6 -64.4 -49.3 56.7 -67.0 -21.2 60 91 A A H ><5S+ 0 0 7 -4,-2.4 3,-1.3 2,-0.2 -2,-0.2 0.953 115.8 48.7 -61.9 -51.6 60.0 -65.1 -21.1 61 92 A K H 3<5S+ 0 0 193 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.907 109.2 53.2 -55.4 -43.7 61.9 -68.0 -22.7 62 93 A S H 3<5S- 0 0 42 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.687 107.0-132.3 -66.5 -17.3 59.2 -68.2 -25.4 63 94 A G T <<5 - 0 0 45 -3,-1.3 2,-0.5 -4,-0.7 -3,-0.2 0.985 30.5-165.4 60.9 57.4 59.8 -64.5 -26.1 64 95 A V < - 0 0 0 -5,-1.6 -1,-0.2 31,-0.1 35,-0.1 -0.681 18.9-114.0 -83.0 123.2 56.1 -63.8 -26.1 65 96 A S - 0 0 58 -2,-0.5 2,-0.3 -57,-0.1 -1,-0.1 0.220 32.0-169.5 -44.6 170.2 55.2 -60.4 -27.5 66 97 A L - 0 0 11 4,-0.0 29,-0.1 0, 0.0 -1,-0.0 -0.855 19.2-120.7-170.9 130.4 53.6 -57.6 -25.5 67 98 A S > - 0 0 42 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.131 36.5-102.2 -67.3 171.6 52.1 -54.2 -26.2 68 99 A A H > S+ 0 0 75 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.926 120.8 44.3 -61.2 -51.1 53.4 -51.0 -24.9 69 100 A E H > S+ 0 0 124 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.907 111.8 53.6 -62.7 -43.2 50.8 -50.6 -22.1 70 101 A Q H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.928 111.4 46.2 -58.6 -44.4 51.1 -54.2 -21.1 71 102 A N H X S+ 0 0 20 -4,-2.2 4,-3.5 1,-0.2 -2,-0.2 0.965 116.2 43.8 -62.6 -52.5 54.9 -53.8 -20.7 72 103 A E H X S+ 0 0 92 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.857 115.1 50.1 -63.1 -35.1 54.5 -50.5 -18.8 73 104 A N H X S+ 0 0 93 -4,-3.4 4,-2.0 -5,-0.2 -1,-0.2 0.970 115.8 40.9 -65.0 -53.3 51.7 -52.0 -16.6 74 105 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.3 5,-0.2 0.946 117.1 50.2 -59.3 -50.6 53.7 -55.1 -15.8 75 106 A R H >X S+ 0 0 80 -4,-3.5 4,-3.0 -5,-0.3 3,-1.7 0.977 109.9 48.4 -51.9 -70.0 56.9 -53.1 -15.3 76 107 A S H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.850 112.8 47.3 -35.8 -58.6 55.4 -50.5 -13.0 77 108 A A H 3< S+ 0 0 40 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.716 123.9 31.0 -62.9 -24.4 53.7 -53.0 -10.7 78 109 A F H << S+ 0 0 3 -3,-1.7 -2,-0.2 -4,-1.4 -1,-0.2 0.689 95.5 101.9-110.3 -19.8 56.7 -55.3 -10.4 79 110 A S S < S+ 0 0 31 -4,-3.0 -4,-0.0 -5,-0.2 23,-0.0 -0.287 78.5 7.9 -77.1 153.2 59.8 -53.1 -10.7 80 111 A A S S+ 0 0 80 1,-0.1 -1,-0.2 -2,-0.0 3,-0.1 0.721 94.4 115.5 57.7 36.4 62.1 -51.8 -8.0 81 112 A P + 0 0 23 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 -0.098 22.9 72.7-112.2-149.7 60.9 -53.7 -4.9 82 113 A T > + 0 0 53 5,-0.4 3,-0.5 1,-0.2 2,-0.3 0.697 58.8 161.7 49.1 38.5 61.7 -56.3 -2.1 83 114 A S G > - 0 0 55 5,-1.3 3,-1.5 1,-0.2 5,-0.4 -0.683 60.5 -3.4 -94.0 138.9 64.2 -54.2 -0.1 84 115 A A G 3 S- 0 0 55 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.655 108.4 -84.0 62.6 23.7 65.1 -54.9 3.5 85 116 A L G < S+ 0 0 31 -3,-0.5 -1,-0.3 1,-0.1 2,-0.1 0.865 114.1 108.0 45.2 34.3 62.8 -57.9 3.8 86 117 A F S < S- 0 0 129 -3,-1.5 -1,-0.1 2,-0.1 -2,-0.1 -0.012 93.1 -98.8-110.2-146.9 60.4 -55.0 4.6 87 118 A S + 0 0 49 -2,-0.1 -5,-0.4 -3,-0.1 -3,-0.1 0.543 61.7 155.5-119.7 -12.7 57.9 -54.1 1.9 88 119 A A 0 0 35 -5,-0.4 -5,-1.3 1,-0.3 -2,-0.1 0.230 360.0 360.0 -24.1 109.2 59.7 -51.1 0.3 89 120 A S 0 0 113 -8,-0.2 -1,-0.3 -7,-0.1 -2,-0.0 0.233 360.0 360.0 65.5 360.0 58.6 -50.7 -3.3 90 ! 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 91 127 A T 0 0 179 0, 0.0 2,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.9 64.3 -46.7 -20.0 92 128 A T - 0 0 146 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.592 360.0-172.7 -75.5 95.3 63.2 -48.8 -23.1 93 129 A I - 0 0 34 -2,-1.4 -18,-0.1 1,-0.1 5,-0.0 -0.802 16.4-128.8 -95.8 128.0 62.9 -52.2 -21.5 94 130 A S > - 0 0 48 -2,-0.5 4,-1.5 1,-0.1 -1,-0.1 -0.023 17.2-110.8 -68.4 173.2 62.3 -55.1 -23.9 95 131 A D H > S+ 0 0 49 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.913 117.2 47.0 -72.5 -46.6 59.6 -57.8 -23.7 96 132 A A H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 111.5 55.7 -63.8 -34.5 61.9 -60.7 -22.9 97 133 A E H > S+ 0 0 112 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.900 105.2 50.2 -64.3 -42.3 63.4 -58.5 -20.3 98 134 A I H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.867 104.9 53.9 -69.3 -37.8 60.2 -57.8 -18.5 99 135 A W H X S+ 0 0 0 -4,-1.7 4,-3.7 1,-0.2 5,-0.2 0.955 108.7 52.5 -61.6 -42.8 58.9 -61.4 -18.1 100 136 A D H X S+ 0 0 88 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.873 110.5 47.4 -56.5 -40.9 62.3 -62.1 -16.5 101 137 A M H X S+ 0 0 38 -4,-1.5 4,-3.5 2,-0.2 5,-0.3 0.968 113.5 46.4 -63.8 -56.2 61.8 -59.3 -14.0 102 138 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 5,-0.5 0.958 114.4 48.7 -51.5 -54.0 58.2 -60.3 -13.2 103 139 A S H X S+ 0 0 5 -4,-3.7 4,-0.8 -5,-0.3 -1,-0.3 0.870 116.3 44.8 -55.7 -37.1 59.4 -63.9 -12.8 104 140 A Q H X S+ 0 0 130 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.957 117.1 39.6 -72.4 -54.4 62.2 -62.7 -10.6 105 141 A N H X S+ 0 0 24 -4,-3.5 4,-2.6 2,-0.2 5,-0.3 0.943 112.1 52.7 -63.8 -51.5 60.4 -60.2 -8.3 106 142 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.888 110.8 51.1 -54.9 -36.2 57.2 -62.1 -7.8 107 143 A S H X S+ 0 0 22 -4,-0.8 4,-1.8 -5,-0.5 5,-0.3 0.882 107.1 52.3 -68.5 -38.3 59.3 -65.1 -6.7 108 144 A A H X>S+ 0 0 20 -4,-1.7 4,-2.8 -3,-0.2 5,-0.7 0.972 113.7 44.0 -59.2 -52.1 61.3 -63.0 -4.3 109 145 A I H X>S+ 0 0 19 -4,-2.6 5,-2.4 1,-0.2 4,-1.0 0.905 111.2 53.4 -58.5 -46.6 58.0 -61.7 -2.7 110 146 A G H <>S+ 0 0 1 -4,-2.9 5,-1.6 -5,-0.3 -1,-0.2 0.824 125.3 24.9 -59.9 -30.7 56.5 -65.2 -2.7 111 147 A D H <5S+ 0 0 87 -4,-1.8 5,-0.3 -3,-0.3 -2,-0.2 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V - 0 0 3 -44,-0.6 2,-0.6 -51,-0.2 -1,-0.2 -0.283 52.9 -97.7 -68.1 155.9 17.1 -51.2 9.4 509 257 B D + 0 0 21 1,-0.2 4,-0.2 44,-0.1 -1,-0.1 -0.677 42.3 173.5 -79.4 117.6 19.0 -49.0 7.0 510 258 B L >> + 0 0 7 -2,-0.6 4,-2.5 1,-0.1 3,-1.1 0.583 50.7 102.9 -98.6 -13.9 18.0 -50.0 3.5 511 259 B T H 3> S+ 0 0 64 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.852 80.7 50.6 -33.8 -60.3 20.0 -47.2 1.8 512 260 B P H 3> S+ 0 0 3 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.862 113.1 45.0 -50.9 -43.6 22.8 -49.6 0.7 513 261 B L H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.896 115.1 47.5 -69.0 -41.2 20.4 -52.1 -0.8 514 262 B Q H X S+ 0 0 80 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.925 110.4 51.6 -64.7 -44.9 18.4 -49.5 -2.6 515 263 B K H X S+ 0 0 73 -4,-3.4 4,-2.6 -5,-0.3 -1,-0.2 0.853 108.4 54.5 -58.9 -35.5 21.6 -47.9 -3.9 516 264 B M H X S+ 0 0 1 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.910 109.5 44.8 -65.3 -43.9 22.6 -51.4 -5.1 517 265 B V H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.830 111.4 55.3 -70.6 -30.8 19.3 -51.7 -7.0 518 266 B Q H >X 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0.873 113.3 42.7 -55.3 -40.2 25.8 -56.6 27.6 569 317 B S H X S+ 0 0 79 -4,-2.3 4,-3.3 1,-0.2 3,-1.5 0.993 105.4 51.8 -60.2 -57.9 29.1 -55.4 35.8 574 322 B L H 3< S+ 0 0 25 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.718 107.4 56.4 -49.4 -21.8 26.0 -54.1 37.7 575 323 B V H 3X S+ 0 0 1 -4,-1.1 4,-3.6 -3,-0.3 -1,-0.3 0.863 112.6 39.0 -78.9 -36.8 25.2 -57.8 38.2 576 324 B K H S+ 0 0 0 -5,-0.5 4,-2.2 -4,-0.1 5,-0.3 0.892 109.8 54.3 -91.8 -61.4 25.4 -56.9 42.9 579 327 B S H X S+ 0 0 20 -4,-3.6 4,-1.1 1,-0.2 -2,-0.2 0.792 107.1 52.5 -44.0 -40.9 26.5 -60.5 43.3 580 328 B S H >X S+ 0 0 67 -4,-2.9 4,-3.8 2,-0.2 3,-1.1 0.982 107.6 50.6 -63.0 -56.2 29.4 -59.5 45.6 581 329 B T H 3X S+ 0 0 4 -4,-0.5 4,-3.4 -5,-0.4 -2,-0.2 0.928 110.4 49.1 -44.6 -56.7 27.1 -57.6 48.0 582 330 B I H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.803 117.3 45.2 -55.6 -27.4 24.8 -60.6 48.2 583 331 B S H X< S+ 0 0 36 -4,-1.1 3,-1.7 -3,-1.1 -2,-0.3 0.949 115.3 42.0 -82.0 -53.2 28.0 -62.6 48.9 584 332 B S H >X S+ 0 0 43 -4,-3.8 3,-1.7 1,-0.3 4,-1.5 0.918 113.7 53.7 -59.9 -44.0 29.7 -60.3 51.4 585 333 B S T 3< S+ 0 0 4 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.1 0.231 107.1 53.7 -76.7 16.9 26.4 -59.6 53.2 586 334 B L T <4 S+ 0 0 6 -3,-1.7 -1,-0.3 -5,-0.1 316,-0.2 0.089 108.0 48.4-132.7 15.5 25.9 -63.4 53.5 587 335 B E T <4 0 0 62 -3,-1.7 -282,-2.2 1,-0.5 -281,-0.3 0.530 360.0 360.0-124.5 -29.7 29.3 -64.0 55.1 588 336 B T < 0 0 65 -4,-1.5 -1,-0.5 -284,-0.2 -282,-0.0 -0.981 360.0 360.0-138.6 360.0 29.1 -61.3 57.8 589 !* 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 0.0 590 128 C T 0 0 98 0, 0.0 -454,-0.0 0, 0.0 -458,-0.0 0.000 360.0 360.0 360.0 83.8 40.0 -78.7 21.0 591 129 C I - 0 0 27 1,-0.1 334,-0.1 334,-0.0 2,-0.1 0.998 360.0-171.4 61.1 68.1 38.5 -76.3 18.5 592 130 C S > - 0 0 26 1,-0.1 4,-1.7 333,-0.0 5,-0.1 -0.313 34.2-110.5 -85.9 173.0 41.5 -76.0 16.1 593 131 C D H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.842 116.0 57.5 -72.0 -36.6 42.0 -73.6 13.2 594 132 C A H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 109.3 47.0 -59.4 -44.2 41.7 -76.3 10.6 595 133 C E H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.887 111.9 48.4 -64.0 -44.7 38.2 -77.2 12.0 596 134 C I H X S+ 0 0 17 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.802 113.8 50.0 -66.0 -30.0 37.1 -73.6 12.1 597 135 C W H X S+ 0 0 22 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.874 105.7 52.7 -78.9 -39.1 38.3 -73.2 8.6 598 136 C D H < S+ 0 0 112 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.935 109.9 51.5 -60.7 -42.1 36.6 -76.2 7.1 599 137 C M H >< S+ 0 0 29 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.926 114.6 41.5 -58.1 -47.0 33.4 -74.9 8.6 600 138 C V H 3< S+ 0 0 1 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.604 104.1 68.3 -77.6 -12.5 34.0 -71.5 6.9 601 139 C S T >< + 0 0 11 -4,-1.4 3,-2.2 -3,-0.4 4,-0.4 0.330 60.0 114.1 -89.0 8.1 35.2 -73.1 3.7 602 140 C Q T < S+ 0 0 55 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.263 70.4 65.6 -63.3 19.2 31.7 -74.5 3.0 603 141 C N T > + 0 0 25 -3,-0.2 3,-1.1 2,-0.1 -1,-0.3 0.504 68.9 80.7-120.3 -9.6 31.9 -72.1 -0.0 604 142 C I T X> S+ 0 0 71 -3,-2.2 4,-0.9 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0 24 -3,-1.1 4,-2.8 -4,-0.3 5,-0.2 0.981 110.3 50.9 -68.8 -58.0 33.4 -76.2 -17.0 615 153 C Y H X S+ 0 0 5 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.878 109.8 51.0 -45.1 -47.9 35.6 -73.4 -18.2 616 154 C E H >X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 3,-0.6 0.978 111.2 47.0 -57.0 -56.6 38.6 -75.0 -16.5 617 155 C N H 3X S+ 0 0 33 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.848 106.2 59.6 -53.5 -38.6 37.9 -78.4 -18.2 618 156 C V H 3X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.919 110.0 40.9 -60.0 -43.1 37.4 -76.8 -21.6 619 157 C V H X S+ 0 0 67 -4,-2.6 4,-1.3 -5,-0.3 3,-0.8 0.973 103.6 50.0 -67.5 -55.3 49.2 -79.3 -28.2 628 166 C A H 3X S+ 0 0 27 -4,-2.1 4,-1.5 1,-0.3 3,-0.4 0.856 112.3 47.6 -49.4 -42.6 49.0 -82.7 -30.0 629 167 C F H 3X S+ 0 0 1 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.772 104.6 61.5 -71.6 -25.9 48.4 -80.9 -33.2 630 168 C S H << S+ 0 0 25 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.790 102.9 51.4 -70.9 -26.3 51.3 -78.6 -32.4 631 169 C D H >< S+ 0 0 70 -4,-1.3 3,-2.5 -3,-0.4 -2,-0.2 0.950 106.2 51.0 -72.9 -52.3 53.6 -81.7 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-68.4 23.4 922 330 D I H X S+ 0 0 4 -4,-3.2 3,-0.9 1,-0.2 4,-0.5 0.901 108.9 56.6 -67.6 -33.8 43.0 -65.9 13.0 929 337 D A H >< S+ 0 0 3 -4,-2.0 3,-1.8 -5,-0.3 4,-0.5 0.917 101.6 56.2 -60.1 -42.8 40.2 -67.4 10.8 930 338 D K H >X S+ 0 0 25 -4,-2.2 4,-0.9 1,-0.3 3,-0.7 0.750 98.7 63.4 -59.3 -23.9 39.2 -64.0 9.7 931 339 D S H << S+ 0 0 5 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.662 99.6 52.5 -76.0 -16.7 42.8 -63.6 8.5 932 340 D F T << S+ 0 0 17 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.527 107.1 53.5 -95.3 -4.4 42.3 -66.4 6.1 933 341 D L T <4 S+ 0 0 4 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.1 0.674 77.7 96.9-103.2 -21.0 39.2 -64.8 4.5 934 342 D Q < 0 0 97 -4,-0.9 -144,-0.1 1,-0.1 -2,-0.1 0.862 360.0 360.0 -33.8 -94.8 40.3 -61.3 3.5 935 343 D G 0 0 26 -658,-0.1 -1,-0.1 -146,-0.1 -651,-0.1 -0.363 360.0 360.0 141.3 360.0 41.3 -61.4 -0.2