==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 05-MAR-99 1CD3 . COMPND 2 MOLECULE: PROTEIN (SCAFFOLDING PROTEIN GPD); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE PHIX174; . AUTHOR M.G.ROSSMANN,T.DOKLAND . 1233 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 825 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 12.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 5 0.4 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 . 94 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 5 6 1 1 3 1 1 9 3 1 3 1 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 2 3 3 0 0 2 0 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 3 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 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 6 1 E > 0 0 118 0, 0.0 4,-1.0 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 -19.3 35.6 -6.2 148.4 2 7 1 Q H > + 0 0 59 2,-0.2 4,-2.1 3,-0.1 5,-0.3 0.882 360.0 54.8 -85.2 -43.1 38.9 -8.0 148.3 3 8 1 S H > S+ 0 0 81 1,-0.3 4,-4.7 2,-0.2 -1,-0.1 0.969 108.2 53.5 -53.8 -47.6 39.0 -9.5 151.8 4 9 1 V H > S+ 0 0 30 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.916 108.6 49.7 -48.2 -47.8 35.6 -10.9 150.8 5 10 1 R H X S+ 0 0 4 -4,-1.0 4,-3.1 2,-0.2 5,-0.3 0.970 114.6 41.7 -51.5 -79.7 37.3 -12.3 147.8 6 11 1 F H X S+ 0 0 37 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.834 112.2 59.4 -29.3 -61.8 40.1 -13.9 149.8 7 12 1 Q H >X S+ 0 0 83 -4,-4.7 4,-2.3 -5,-0.3 3,-1.4 0.876 113.3 33.3 -32.4 -77.7 37.5 -14.9 152.3 8 13 1 T H 3X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.3 -1,-0.3 0.892 111.0 67.1 -50.1 -45.4 35.5 -17.0 149.9 9 14 1 A H 3X S+ 0 0 0 -4,-3.1 4,-0.6 -5,-0.3 -1,-0.3 0.849 109.6 37.2 -43.1 -42.3 38.7 -18.0 148.1 10 15 1 L H XX S+ 0 0 47 -4,-2.3 3,-1.5 -3,-1.4 4,-1.1 0.920 106.6 64.2 -77.1 -49.8 39.6 -19.8 151.3 11 16 1 A H 3X S+ 0 0 18 -4,-2.3 4,-1.6 1,-0.3 -2,-0.2 0.751 98.0 60.9 -46.6 -26.7 36.1 -21.1 152.1 12 17 1 S H 3X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.2 -1,-0.3 0.928 94.0 61.2 -71.3 -42.2 36.5 -23.0 148.9 13 18 1 I H < S+ 0 0 6 -4,-3.3 3,-2.4 1,-0.2 -2,-0.2 0.995 102.4 60.9 -65.2 -60.6 37.5 -28.7 148.2 17 22 1 Q H 3< S+ 0 0 70 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 102.5 55.9 -33.2 -37.3 39.0 -30.8 151.0 18 23 1 A H 3< S+ 0 0 30 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.889 77.3 143.6 -64.6 -43.1 35.5 -32.4 151.1 19 24 1 S << - 0 0 19 -3,-2.4 209,-0.1 -4,-1.0 120,-0.1 0.469 43.3-148.7 -2.7 114.4 35.6 -33.4 147.4 20 25 1 A S S+ 0 0 28 208,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.954 71.0 1.0 -64.8 -58.8 33.9 -36.7 147.0 21 26 1 V - 0 0 11 119,-0.1 36,-0.6 121,-0.0 2,-0.5 -0.898 62.2-141.9-130.4 160.9 35.8 -38.3 144.2 22 27 1 L - 0 0 3 117,-1.9 2,-1.3 119,-0.3 31,-0.1 -0.991 10.2-148.7-123.9 122.2 38.7 -37.1 142.1 23 28 1 D + 0 0 85 -2,-0.5 2,-0.4 29,-0.4 118,-0.1 -0.259 59.0 112.0 -90.5 55.7 38.6 -37.9 138.5 24 29 1 L - 0 0 5 -2,-1.3 2,-0.2 116,-0.5 -2,-0.1 -0.960 66.9-121.6-127.0 142.5 42.2 -38.2 138.0 25 30 1 T > - 0 0 59 -2,-0.4 4,-3.0 1,-0.1 5,-0.3 -0.530 37.9-107.2 -74.1 144.5 44.4 -41.2 137.2 26 31 1 E T 4 S+ 0 0 122 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.912 124.1 46.7 -34.0 -58.3 47.1 -41.7 139.8 27 32 1 D T >4 S+ 0 0 111 1,-0.2 3,-4.4 2,-0.2 4,-0.3 0.962 107.0 52.8 -48.4 -69.9 49.5 -40.4 137.1 28 33 1 D T 3> S+ 0 0 12 1,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.814 94.8 68.6 -38.8 -45.9 47.5 -37.4 136.1 29 34 1 F H 3X S+ 0 0 19 -4,-3.0 4,-1.4 3,-0.2 -1,-0.4 0.579 103.2 58.2 -49.8 -3.5 47.4 -36.4 139.8 30 35 1 D H <> S+ 0 0 59 -3,-4.4 4,-2.4 -5,-0.3 -2,-0.2 0.872 97.2 44.8 -93.7 -81.2 51.0 -36.0 138.7 31 36 1 F H 4 S+ 0 0 65 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.853 123.7 51.9 -26.2 -40.5 51.3 -33.6 135.8 32 37 1 L H < S+ 0 0 2 -4,-2.1 50,-0.7 -5,-0.2 -1,-0.2 0.947 125.2 13.0 -61.9 -66.5 49.0 -32.0 138.2 33 38 1 T H < S+ 0 0 29 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.2 0.620 98.9 103.9 -99.3 -15.2 50.7 -32.0 141.6 34 39 1 S S < S- 0 0 16 -4,-2.4 48,-0.4 1,-0.1 -4,-0.0 0.209 73.3-123.8 -56.1-176.3 54.3 -32.9 140.7 35 40 1 N S S+ 0 0 100 49,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.208 73.8 115.3-115.4 10.2 57.1 -30.4 140.7 36 41 1 K S S- 0 0 125 -6,-0.1 46,-0.1 1,-0.1 -2,-0.1 -0.706 76.4-101.4 -83.1 135.1 58.2 -31.1 137.2 37 42 1 V - 0 0 98 -2,-0.4 2,-0.6 1,-0.1 48,-0.1 -0.230 24.6-127.5 -61.0 140.9 57.6 -28.2 134.8 38 43 1 W - 0 0 11 46,-0.1 2,-0.2 -6,-0.1 -1,-0.1 -0.798 29.2-156.4 -84.9 114.9 54.6 -28.0 132.5 39 44 1 I >> - 0 0 102 -2,-0.6 3,-3.1 1,-0.1 4,-1.1 -0.529 32.7 -95.1 -93.3 165.7 55.8 -27.4 129.0 40 45 1 A G >4 S+ 0 0 44 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.872 124.1 55.9 -40.6 -54.8 53.8 -25.8 126.2 41 46 1 T G 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.456 105.7 56.9 -63.4 0.4 52.8 -29.2 124.7 42 47 1 D G X> S+ 0 0 37 -3,-3.1 4,-1.3 2,-0.1 3,-0.9 0.824 71.5 98.5 -98.2 -40.1 51.4 -30.1 128.1 43 48 1 R H S+ 0 0 35 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.972 110.3 43.8 -48.1 -67.5 45.9 -29.3 127.7 45 50 1 R H <> S+ 0 0 119 -3,-0.9 4,-2.7 -4,-0.2 5,-0.2 0.921 114.2 53.9 -41.6 -53.6 46.6 -32.1 130.2 46 51 1 A H >X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 3,-0.9 0.961 111.3 43.1 -44.0 -72.3 47.3 -29.4 132.7 47 52 1 R H 3X S+ 0 0 76 -4,-3.5 4,-3.9 1,-0.3 5,-0.4 0.900 110.2 56.7 -39.4 -64.5 43.9 -27.8 132.0 48 53 1 R H 3X S+ 0 0 93 -4,-2.9 4,-2.8 1,-0.2 -1,-0.3 0.850 115.7 36.4 -36.8 -50.7 42.2 -31.1 132.0 49 54 1 C H X S+ 0 0 37 -4,-3.9 3,-2.1 -5,-0.4 4,-1.7 0.959 106.1 60.3 -54.7 -55.4 39.8 -28.4 135.5 52 57 1 A H 3X S+ 0 0 11 -4,-2.8 4,-0.7 -5,-0.4 -29,-0.4 0.780 99.9 54.2 -43.8 -40.5 39.1 -31.9 136.9 53 58 1 C H 3< S+ 0 0 13 -4,-2.2 -1,-0.3 -3,-0.4 -2,-0.2 0.808 109.3 50.5 -70.6 -25.9 39.7 -30.7 140.4 54 59 1 V H << S+ 0 0 3 -3,-2.1 -2,-0.2 -4,-0.9 -1,-0.2 0.920 123.4 24.4 -75.0 -45.7 37.0 -28.0 139.9 55 60 1 Y H X S+ 0 0 31 -4,-1.7 4,-2.3 1,-0.1 5,-0.2 0.129 86.5 130.3-110.8 22.1 34.1 -30.1 138.4 56 61 1 G H >X S+ 0 0 5 -4,-0.7 3,-2.3 -5,-0.3 4,-1.6 0.861 72.2 32.1 -35.7-103.1 35.1 -33.5 139.9 57 62 1 T H 3> S+ 0 0 20 -36,-0.6 4,-3.4 1,-0.3 5,-0.4 0.756 115.8 61.3 -26.4 -54.6 32.0 -35.1 141.6 58 63 1 L H 3>>S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-1.2 0.892 112.1 36.3 -46.7 -50.5 29.7 -33.4 139.1 59 64 1 D H <<5S+ 0 0 40 -4,-2.3 -2,-0.2 -3,-2.3 -1,-0.2 0.992 116.3 51.7 -68.6 -59.6 31.3 -35.3 136.2 60 65 1 F H <5S+ 0 0 90 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.794 117.6 39.5 -47.2 -36.9 32.0 -38.5 138.0 61 66 1 V H <5S- 0 0 31 -4,-3.4 123,-0.6 -5,-0.3 -1,-0.2 0.854 118.0-101.4 -85.8 -39.3 28.4 -38.7 139.2 62 67 1 G T <5S+ 0 0 51 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.422 72.9 125.9 136.1 -5.0 26.5 -37.4 136.1 63 68 1 Y < - 0 0 9 -5,-1.2 -1,-0.3 -6,-0.2 2,-0.2 -0.449 62.5-103.8 -81.3 160.3 25.5 -33.8 136.5 64 69 1 P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 171,-0.1 -0.487 36.1-109.3 -81.4 153.1 26.5 -31.3 133.9 65 70 1 R + 0 0 47 -2,-0.2 -10,-0.0 841,-0.0 841,-0.0 -0.069 35.4 178.0 -71.8 178.3 29.2 -28.8 134.5 66 71 1 F - 0 0 16 190,-0.1 169,-0.0 191,-0.0 879,-0.0 -0.872 40.1 -57.2-179.6 154.1 28.7 -25.1 135.0 67 72 1 P - 0 0 73 0, 0.0 878,-0.0 0, 0.0 0, 0.0 -0.015 39.2-147.6 -55.3 128.1 31.0 -22.1 135.7 68 73 1 A - 0 0 8 192,-0.1 29,-0.2 2,-0.0 2,-0.1 -0.774 23.7-121.1 -93.5 128.6 33.2 -22.0 138.7 69 74 1 P >> - 0 0 1 0, 0.0 4,-1.3 0, 0.0 3,-1.3 -0.479 29.3-109.9 -67.5 149.7 33.7 -18.5 140.1 70 75 1 V H 3> S+ 0 0 0 27,-2.1 4,-3.3 1,-0.3 5,-0.2 0.826 112.8 63.3 -45.2 -55.5 37.3 -17.4 140.2 71 76 1 E H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.865 108.4 48.4 -43.1 -38.9 38.0 -17.5 144.0 72 77 1 F H <> S+ 0 0 6 -3,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.995 108.7 48.0 -64.4 -65.7 37.2 -21.2 143.6 73 78 1 I H X S+ 0 0 6 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.824 112.2 55.9 -42.8 -37.0 39.5 -21.9 140.6 74 79 1 A H X S+ 0 0 0 -4,-3.3 4,-3.4 2,-0.2 5,-0.4 0.999 105.0 47.7 -59.5 -70.7 42.1 -20.0 142.7 75 80 1 A H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 -2,-0.2 0.845 113.3 51.0 -36.2 -51.0 41.9 -22.1 145.8 76 81 1 V H X>S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.6 0.966 113.7 40.5 -57.6 -59.6 42.2 -25.2 143.6 77 82 1 I H X5S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.977 117.9 51.2 -51.4 -54.0 45.2 -24.1 141.7 78 83 1 A H <5S+ 0 0 6 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 115.6 42.8 -48.5 -43.3 46.6 -22.8 145.0 79 84 1 Y H <5S+ 0 0 18 -4,-3.5 51,-0.5 -5,-0.4 -1,-0.2 0.926 129.1 17.1 -76.8 -49.7 45.9 -26.1 146.6 80 85 1 Y H <5S+ 0 0 9 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.841 101.0 86.7 -95.3 -40.4 47.0 -28.7 144.1 81 86 1 V S <> - 0 0 56 -50,-0.7 3,-2.8 -48,-0.4 4,-0.9 -0.560 23.4-112.4 -78.6 142.6 52.9 -26.9 142.6 83 88 1 P H >> S+ 0 0 67 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.809 115.0 65.4 -41.6 -41.2 54.4 -23.4 142.8 84 89 1 V H 34 S+ 0 0 72 1,-0.3 4,-0.3 2,-0.1 -46,-0.1 0.825 116.0 30.5 -55.8 -29.3 56.8 -24.2 139.9 85 90 1 N H <> S+ 0 0 1 -3,-2.8 4,-2.9 1,-0.1 -1,-0.3 0.475 86.5 102.2-108.8 -2.0 53.6 -24.4 137.8 86 91 1 I H X S+ 0 0 139 -4,-0.5 4,-2.5 2,-0.2 3,-1.2 0.997 114.3 35.1 -63.7 -69.1 51.9 -19.4 136.7 88 93 1 T H 3> S+ 0 0 31 1,-0.3 4,-2.7 -4,-0.3 5,-0.2 0.911 114.3 63.5 -54.2 -35.9 51.2 -21.3 133.6 89 94 1 A H 3X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -1,-0.3 0.862 106.7 42.1 -54.7 -38.1 48.5 -23.0 135.6 90 95 1 C H XX S+ 0 0 1 -4,-1.3 4,-2.2 -3,-1.2 3,-0.8 0.923 109.4 57.1 -73.7 -47.4 46.8 -19.7 135.9 91 96 1 L H 3< S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.870 105.4 53.4 -49.6 -41.0 47.4 -18.8 132.2 92 97 1 I H 3< S+ 0 0 17 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.833 114.2 40.3 -65.3 -32.8 45.6 -22.0 131.3 93 98 1 M H X< S+ 0 0 24 -4,-0.9 3,-0.7 -3,-0.8 -2,-0.2 0.706 79.1 135.0 -89.1 -23.2 42.5 -21.1 133.4 94 99 1 E T 3< + 0 0 65 -4,-2.2 17,-0.2 1,-0.2 -3,-0.0 0.085 49.2 63.1 -29.0 122.3 42.4 -17.3 132.5 95 100 1 G T 3 + 0 0 23 15,-1.2 15,-0.3 1,-0.4 -1,-0.2 -0.270 65.3 100.6 158.4 -63.9 38.7 -16.5 131.8 96 101 1 A < - 0 0 40 -3,-0.7 14,-2.7 13,-0.2 -1,-0.4 0.170 61.6-116.8 -52.6 168.7 36.1 -16.9 134.6 97 102 1 E - 0 0 54 12,-0.2 -27,-2.1 -29,-0.2 -26,-0.1 -0.794 21.3-101.2-116.4 156.6 34.7 -14.2 136.8 98 103 1 F > - 0 0 4 10,-0.4 4,-2.0 -2,-0.3 5,-0.2 -0.363 37.9-111.7 -69.9 148.0 34.8 -13.3 140.5 99 104 1 T H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.916 116.4 60.7 -43.8 -53.4 31.7 -14.1 142.5 100 105 1 E H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.912 106.3 43.2 -37.9 -70.3 31.0 -10.4 142.9 101 106 1 N H 4>S+ 0 0 17 1,-0.3 5,-1.0 2,-0.2 -1,-0.2 0.822 114.8 51.1 -44.3 -49.2 30.6 -9.9 139.1 102 107 1 I H ><5S+ 0 0 22 -4,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.937 110.9 47.5 -54.7 -54.3 28.6 -13.0 138.8 103 108 1 I H 3<5S+ 0 0 24 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.804 115.1 48.7 -57.6 -30.3 26.3 -11.9 141.5 104 109 1 N T 3<5S- 0 0 75 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.227 107.1-119.8 -99.2 11.2 26.1 -8.5 139.8 105 110 1 G T < 5 + 0 0 41 -3,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.966 65.7 140.7 44.3 69.7 25.3 -9.6 136.2 106 111 1 V < - 0 0 56 -5,-1.0 2,-0.3 613,-0.0 -1,-0.2 -0.835 51.1-138.3-146.8 101.5 28.5 -7.9 135.0 107 112 1 E + 0 0 77 -2,-0.3 615,-0.1 -3,-0.1 -5,-0.0 -0.468 45.9 141.9 -62.3 122.2 30.5 -9.6 132.3 108 113 1 R - 0 0 71 -2,-0.3 -10,-0.4 -13,-0.1 2,-0.2 -0.400 33.1-160.0-163.4 74.0 34.1 -9.1 133.4 109 114 1 P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.451 24.0-116.5 -64.3 130.1 36.3 -12.1 132.7 110 115 1 V - 0 0 0 -14,-2.7 -15,-1.2 -15,-0.3 2,-0.3 -0.498 24.9-140.8 -71.1 126.2 39.5 -12.3 134.7 111 116 1 K >> - 0 0 84 -2,-0.3 3,-1.9 -17,-0.2 4,-0.9 -0.690 34.0 -93.6 -90.2 145.0 42.6 -12.1 132.6 112 117 1 A H 3> S+ 0 0 21 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.703 119.4 57.7 -15.2 -74.2 45.5 -14.3 133.6 113 118 1 A H 3> S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.830 107.1 49.4 -37.3 -47.5 47.4 -11.9 135.8 114 119 1 E H <> S+ 0 0 30 -3,-1.9 4,-3.1 1,-0.2 5,-0.3 0.998 107.3 53.9 -60.4 -58.9 44.5 -11.4 138.0 115 120 1 L H X S+ 0 0 4 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.839 112.9 46.9 -36.8 -46.1 43.9 -15.1 138.4 116 121 1 F H X S+ 0 0 59 -4,-2.3 4,-3.6 2,-0.2 5,-0.2 0.997 110.1 47.9 -58.2 -72.1 47.5 -15.3 139.4 117 122 1 A H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.3 5,-0.2 0.889 113.4 51.5 -39.0 -52.5 47.6 -12.5 141.9 118 123 1 F H X S+ 0 0 4 -4,-3.1 4,-3.0 -5,-0.2 -1,-0.3 0.938 112.1 43.0 -55.4 -54.8 44.5 -13.9 143.5 119 124 1 T H X S+ 0 0 0 -4,-2.4 4,-3.6 -5,-0.3 -1,-0.2 0.926 108.9 60.6 -55.6 -45.6 45.8 -17.4 143.9 120 125 1 L H X S+ 0 0 68 -4,-3.6 4,-1.4 2,-0.2 -1,-0.2 0.931 110.5 39.6 -48.4 -51.5 49.0 -16.0 145.1 121 126 1 R H >X S+ 0 0 78 -4,-2.5 4,-2.0 1,-0.2 3,-1.1 0.966 113.8 53.5 -63.9 -50.8 47.2 -14.3 148.0 122 127 1 V H 3X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.3 -1,-0.2 0.855 108.5 55.3 -50.8 -33.4 45.0 -17.3 148.5 123 128 1 R H 3< S+ 0 0 100 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.2 0.825 106.7 44.7 -73.2 -31.5 48.2 -19.2 148.7 124 129 1 A H << S+ 0 0 88 -4,-1.4 -2,-0.2 -3,-1.1 -1,-0.1 0.973 117.4 45.4 -73.6 -51.5 49.9 -17.3 151.5 125 130 1 G H < S+ 0 0 34 -4,-2.0 2,-0.2 -5,-0.1 -2,-0.2 0.597 93.3 97.8 -66.3 -12.7 46.8 -17.1 153.6 126 131 1 N < + 0 0 22 -4,-0.8 3,-0.1 -5,-0.3 -116,-0.0 -0.595 39.6 168.2 -80.7 147.6 46.0 -20.8 153.1 127 132 1 T + 0 0 112 -2,-0.2 2,-1.5 1,-0.1 -1,-0.1 0.444 54.6 88.5-130.6 -11.7 47.2 -23.1 155.9 128 133 1 D - 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0 0 54 -50,-0.6 3,-2.5 -48,-0.5 4,-1.2 -0.526 24.1-109.1 -84.4 149.2 19.8 -3.1 161.2 364 88 3 P H >> S+ 0 0 17 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.891 117.6 61.8 -43.2 -46.1 21.6 -5.4 158.8 365 89 3 V H 34 S+ 0 0 12 1,-0.3 4,-0.2 -214,-0.2 -213,-0.2 0.810 117.3 30.1 -54.3 -29.2 19.9 -8.4 160.4 366 90 3 N H <> S+ 0 0 0 -3,-2.5 4,-2.3 -51,-0.2 -1,-0.3 0.444 88.2 99.2-110.1 1.0 16.5 -6.9 159.3 367 91 3 I H X S+ 0 0 14 -4,-0.6 4,-2.2 1,-0.3 3,-0.8 0.940 116.2 35.2 -50.7 -65.6 16.0 -7.7 153.9 369 93 3 T H 3> S+ 0 0 1 1,-0.3 4,-1.9 -4,-0.2 -1,-0.3 0.793 110.9 68.5 -60.3 -25.9 12.6 -8.3 155.5 370 94 3 A H 3X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.920 106.0 38.2 -57.8 -42.6 12.7 -4.6 156.0 371 95 3 C H XX S+ 0 0 1 -4,-2.1 4,-2.4 -3,-0.8 3,-1.9 0.948 106.5 60.5 -76.3 -50.4 12.4 -4.2 152.3 372 96 3 L H 3< S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.878 105.0 57.3 -42.6 -37.6 10.0 -7.0 151.6 373 97 3 I H 3< S+ 0 0 23 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.863 113.7 35.8 -60.1 -38.8 7.9 -4.9 153.9 374 98 3 M H << S+ 0 0 31 -3,-1.9 -2,-0.2 -4,-0.7 -1,-0.2 0.845 82.5 132.5 -88.8 -35.3 8.2 -1.9 151.7 375 99 3 E < + 0 0 86 -4,-2.4 2,-0.6 1,-0.2 17,-0.2 0.411 45.6 67.3 12.3-162.1 8.2 -3.3 148.1 376 100 3 G S S+ 0 0 53 14,-0.2 -1,-0.2 15,-0.1 16,-0.2 0.267 70.8 128.6 49.7 -1.9 6.0 -1.6 145.4 377 101 3 A - 0 0 17 -2,-0.6 14,-3.4 14,-0.4 2,-0.4 -0.418 51.8-126.9 -83.3 161.7 7.8 1.8 145.2 378 102 3 E B -B 390 0B 44 -29,-0.4 -27,-1.9 12,-0.3 -26,-0.1 -0.893 18.1-114.9-113.9 136.0 9.1 3.5 142.1 379 103 3 F - 0 0 4 10,-0.5 4,-0.5 -2,-0.4 10,-0.1 -0.162 35.9-109.3 -57.4 156.7 12.5 4.8 141.3 380 104 3 T S >> S+ 0 0 0 2,-0.2 3,-2.1 3,-0.1 4,-1.5 0.938 113.3 61.9 -56.1 -49.8 12.7 8.5 140.9 381 105 3 E H >> S+ 0 0 24 1,-0.3 3,-2.5 2,-0.2 4,-1.1 0.909 103.5 45.3 -38.2 -83.9 13.3 8.2 137.1 382 106 3 N H 34 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.2 5,-0.3 0.535 106.5 64.9 -41.5 -9.8 10.0 6.5 136.2 383 107 3 I H X4 S+ 0 0 26 -3,-2.1 3,-0.6 -4,-0.5 -1,-0.3 0.883 106.0 40.3 -82.5 -41.6 8.3 9.0 138.5 384 108 3 I H << S+ 0 0 52 -3,-2.5 -2,-0.2 -4,-1.5 -1,-0.1 0.657 117.3 51.0 -75.9 -15.7 9.2 11.9 136.2 385 109 3 N T 3< S- 0 0 55 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.249 101.3-122.4-110.5 13.1 8.5 9.9 133.0 386 110 3 G S < S+ 0 0 66 -3,-0.6 2,-1.6 -5,-0.2 -3,-0.1 0.603 73.0 132.4 58.2 6.4 5.0 8.5 133.8 387 111 3 V - 0 0 67 -5,-0.3 2,-0.8 -6,-0.1 -1,-0.2 -0.651 48.5-155.9 -89.3 86.8 6.5 5.2 133.3 388 112 3 E + 0 0 157 -2,-1.6 -5,-0.1 -3,-0.1 -10,-0.0 -0.533 26.9 161.0 -69.3 111.8 5.2 3.4 136.3 389 113 3 R - 0 0 58 -2,-0.8 -10,-0.5 -10,-0.1 2,-0.2 -0.765 28.0-152.7-127.7 77.7 7.7 0.6 136.9 390 114 3 P B -B 378 0B 75 0, 0.0 -12,-0.3 0, 0.0 2,-0.2 -0.388 16.8-126.5 -60.3 120.7 7.0 -0.4 140.5 391 115 3 V - 0 0 0 -14,-3.4 -14,-0.4 -2,-0.2 -15,-0.1 -0.514 22.5-137.2 -70.8 131.1 10.2 -1.8 142.0 392 116 3 K > - 0 0 70 -2,-0.2 4,-1.8 -17,-0.2 3,-0.4 -0.232 34.1 -87.4 -78.6 175.8 9.7 -5.3 143.5 393 117 3 A H >> S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.963 122.9 55.2 -46.1 -71.7 11.2 -6.3 146.8 394 118 3 A H 3> S+ 0 0 49 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.749 106.4 51.0 -34.8 -44.2 14.6 -7.5 145.5 395 119 3 E H 3> S+ 0 0 21 -3,-0.4 4,-3.4 1,-0.2 -1,-0.3 0.964 106.3 53.8 -67.1 -47.8 15.3 -4.2 143.7 396 120 3 L H < S+ 0 0 124 -4,-2.2 3,-2.8 -3,-0.3 -2,-0.2 0.931 112.4 54.7 -69.8 -45.1 24.4 -0.1 147.6 403 127 3 V H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.891 102.8 61.1 -54.5 -34.5 23.1 3.1 149.2 404 128 3 R T 3< S+ 0 0 80 -4,-3.5 3,-0.3 -5,-0.3 -1,-0.3 0.568 86.9 71.3 -69.5 -6.4 24.4 1.5 152.4 405 129 3 A T < S+ 0 0 77 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.299 80.8 75.8 -92.1 10.8 28.0 1.4 151.0 406 130 3 G < + 0 0 16 -3,-1.4 3,-0.5 1,-0.1 -1,-0.2 -0.411 63.7 143.2-110.8 47.3 28.0 5.2 151.5 407 131 3 N > + 0 0 96 -3,-0.3 3,-2.1 1,-0.2 -1,-0.1 0.540 43.2 79.5 -70.2 -20.4 28.4 4.5 155.2 408 132 3 T T 3 S+ 0 0 115 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.983 99.6 44.4 -53.1 -55.3 30.8 7.3 156.2 409 133 3 D T 3 S+ 0 0 45 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.095 99.0 82.3 -74.7 22.8 27.8 9.7 156.2 410 134 3 V < + 0 0 29 -3,-2.1 2,-0.5 2,-0.1 -1,-0.2 -0.476 50.6 128.5-128.3 58.8 25.9 6.9 158.1 411 135 3 L - 0 0 129 -3,-0.1 -3,-0.0 -2,-0.0 -51,-0.0 -0.745 56.2-133.5-119.9 81.9 27.2 7.5 161.6 412 136 3 T - 0 0 97 -2,-0.5 2,-0.3 -52,-0.1 -2,-0.1 0.329 12.1-139.2 -36.0 155.2 24.0 7.8 163.8 413 137 3 D > - 0 0 55 1,-0.0 3,-0.6 -115,-0.0 4,-0.4 -0.857 16.3-138.2-121.0 151.2 23.1 10.4 166.5 414 138 3 A T 3 S+ 0 0 81 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.496 103.0 76.1 -86.7 -4.9 21.5 10.1 169.9 415 139 3 E T 3 S+ 0 0 86 1,-0.2 -1,-0.2 3,-0.1 3,-0.2 0.728 83.9 66.4 -71.5 -25.1 19.6 13.2 168.9 416 140 3 E S X S+ 0 0 1 -3,-0.6 2,-1.8 1,-0.3 3,-1.2 0.952 95.3 57.7 -52.4 -53.3 17.7 10.7 166.9 417 141 3 N T 3 S+ 0 0 76 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 -0.614 86.7 78.0 -80.5 75.3 16.7 9.4 170.2 418 142 3 V T 3 S+ 0 0 107 -2,-1.8 2,-0.5 -3,-0.2 -1,-0.2 0.149 73.6 92.4-159.3 -8.4 15.1 12.7 171.4 419 143 3 R < 0 0 106 -3,-1.2 -114,-0.1 -118,-0.1 -1,-0.1 -0.871 360.0 360.0-106.7 130.1 11.9 12.3 169.4 420 144 3 Q 0 0 144 -2,-0.5 -114,-0.2 -117,-0.1 -115,-0.1 -0.554 360.0 360.0-132.5 360.0 8.7 10.8 170.8 421 !* 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 0.0 422 7 4 Q 0 0 213 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.6 18.6 39.9 131.0 423 8 4 S + 0 0 88 59,-0.1 2,-0.3 2,-0.0 59,-0.1 -0.931 360.0 145.5-116.7 115.0 19.4 36.2 131.1 424 9 4 V - 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