==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 16-OCT-07 2RJW . COMPND 2 MOLECULE: VILLIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.MENG,C.J.MCKNIGHT . 134 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 56.0 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 . 0 0.0 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 . 0 0.0 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 10 A P 0 0 185 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 35.7 -1.0 -8.8 2 11 A T - 0 0 131 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.252 360.0 -93.3 -54.7 140.6 38.5 -1.6 -11.3 3 12 A K - 0 0 190 1,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.362 47.6-113.7 -60.1 133.8 41.8 -0.1 -10.0 4 13 A L - 0 0 74 27,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.386 25.8-113.7 -72.6 148.3 42.3 3.4 -11.3 5 14 A E - 0 0 113 18,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.380 29.8-118.9 -74.1 157.8 45.0 4.3 -13.7 6 15 A T - 0 0 92 -2,-0.1 27,-0.2 29,-0.0 26,-0.1 -0.810 29.7-174.9-101.9 141.1 47.8 6.6 -12.6 7 16 A F - 0 0 29 25,-2.5 27,-0.3 -2,-0.4 5,-0.0 -0.975 32.3 -97.3-133.4 146.7 48.4 10.0 -14.2 8 17 A P > - 0 0 68 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.287 31.5-119.3 -62.1 149.8 51.2 12.5 -13.7 9 18 A L H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 112.9 53.7 -55.7 -43.3 50.4 15.4 -11.4 10 19 A D H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 105.3 52.8 -65.6 -33.0 51.1 18.0 -14.2 11 20 A V H > S+ 0 0 46 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.931 112.7 46.0 -64.9 -40.6 48.6 16.2 -16.5 12 21 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 117.3 42.7 -71.4 -33.3 46.0 16.4 -13.8 13 22 A V H < S+ 0 0 27 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.806 120.4 39.4 -82.7 -31.3 46.7 20.1 -12.9 14 23 A N H < S+ 0 0 72 -4,-2.5 2,-0.4 -5,-0.2 -2,-0.2 0.549 93.0 92.2-100.3 -5.7 47.0 21.4 -16.5 15 24 A T S < S- 0 0 34 -4,-1.3 5,-0.1 -5,-0.2 78,-0.1 -0.772 74.1-120.2-100.3 130.8 44.3 19.7 -18.5 16 25 A A > - 0 0 9 -2,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.287 32.3-111.4 -59.0 148.1 40.8 21.0 -19.0 17 26 A A G > S+ 0 0 26 68,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.867 116.1 48.7 -51.8 -46.5 38.1 18.7 -17.6 18 27 A E G 3 S+ 0 0 92 1,-0.2 -1,-0.3 8,-0.0 -2,-0.1 0.542 109.2 55.4 -74.5 -6.5 36.7 17.8 -21.0 19 28 A D G < S+ 0 0 110 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.303 82.1 116.6-105.5 3.3 40.2 17.0 -22.4 20 29 A L S < S- 0 0 24 -3,-1.2 3,-0.1 -4,-0.3 4,-0.1 -0.329 73.6 -83.9 -74.4 160.0 41.2 14.5 -19.7 21 30 A P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.104 57.1 -79.1 -60.1 155.7 42.0 10.8 -20.3 22 31 A R T 3 S+ 0 0 226 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.245 118.6 20.0 -53.7 140.3 39.3 8.2 -20.6 23 32 A G T 3 S+ 0 0 59 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.384 90.8 128.9 78.8 -3.0 38.1 7.1 -17.1 24 33 A V < - 0 0 16 -3,-2.2 -1,-0.2 -4,-0.1 -4,-0.1 -0.783 44.0-159.0 -95.7 116.5 39.4 10.2 -15.4 25 34 A D > - 0 0 49 -2,-0.7 3,-2.1 3,-0.2 7,-0.1 -0.824 7.2-153.4 -91.3 111.8 36.9 12.0 -13.2 26 35 A P T 3 S+ 0 0 19 0, 0.0 3,-0.4 0, 0.0 59,-0.3 0.523 92.8 62.8 -65.2 -6.1 38.0 15.6 -12.7 27 36 A S T 3 S+ 0 0 40 1,-0.2 3,-0.1 58,-0.1 39,-0.0 0.447 109.2 40.5 -94.1 -2.4 36.2 15.8 -9.4 28 37 A R X + 0 0 141 -3,-2.1 3,-1.7 1,-0.1 4,-0.3 -0.161 68.4 143.1-135.4 42.0 38.4 13.1 -7.9 29 38 A K G > + 0 0 0 37,-0.4 3,-2.0 -3,-0.4 4,-0.4 0.823 65.6 66.0 -54.1 -35.5 41.8 14.0 -9.3 30 39 A E G > S+ 0 0 11 1,-0.3 3,-1.1 36,-0.2 -1,-0.3 0.797 91.7 63.7 -60.4 -26.8 43.6 12.9 -6.1 31 40 A N G < S+ 0 0 68 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.621 99.4 53.8 -73.3 -13.6 42.6 9.3 -6.8 32 41 A Y G < S+ 0 0 14 -3,-2.0 -25,-2.5 -4,-0.3 -1,-0.2 0.433 84.3 106.9 -99.8 -1.7 44.7 9.2 -10.0 33 42 A L S < S- 0 0 2 -3,-1.1 2,-0.0 -4,-0.4 -3,-0.0 -0.454 78.1-109.9 -74.7 150.8 47.9 10.4 -8.4 34 43 A S > - 0 0 32 -27,-0.3 4,-2.9 -2,-0.1 5,-0.2 -0.334 34.9-105.2 -70.0 163.1 50.7 7.8 -7.9 35 44 A D H > S+ 0 0 120 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 123.1 53.2 -58.6 -39.8 51.3 6.9 -4.3 36 45 A E H > S+ 0 0 161 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 112.0 43.8 -61.1 -44.7 54.4 9.0 -4.3 37 46 A D H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.897 112.9 51.7 -69.7 -39.2 52.6 12.0 -5.6 38 47 A F H X>S+ 0 0 6 -4,-2.9 4,-2.9 2,-0.2 5,-0.5 0.957 112.1 46.2 -62.5 -48.4 49.7 11.5 -3.2 39 48 A K H X5S+ 0 0 153 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.920 115.0 47.1 -58.7 -46.0 52.0 11.3 -0.2 40 49 A A H <5S+ 0 0 81 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.885 118.3 40.5 -64.6 -39.3 54.0 14.3 -1.4 41 50 A V H <5S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.902 131.8 20.7 -78.1 -41.5 50.9 16.5 -2.1 42 51 A F H <5S- 0 0 18 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.593 82.1-144.2-107.2 -14.8 48.8 15.5 0.9 43 52 A G S < - 0 0 84 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.317 39.1-115.9 -74.3 159.9 47.2 8.2 3.7 46 55 A R H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 117.2 49.5 -61.4 -43.1 44.5 7.9 1.1 47 56 A S H > S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.881 108.4 53.1 -64.4 -38.4 42.0 6.5 3.6 48 57 A A H >> S+ 0 0 39 2,-0.2 4,-0.5 1,-0.2 3,-0.5 0.939 111.5 46.4 -61.3 -46.0 42.8 9.3 6.1 49 58 A F H >< S+ 0 0 4 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.934 109.9 53.2 -61.9 -46.3 42.1 11.8 3.3 50 59 A A H 3< S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.711 107.3 53.2 -62.8 -22.3 38.9 10.1 2.3 51 60 A N H << S+ 0 0 136 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.512 87.0 103.1 -91.0 -6.5 37.7 10.2 5.9 52 61 A L S << S- 0 0 51 -3,-1.6 5,-0.0 -4,-0.5 -3,-0.0 -0.347 88.9 -88.1 -72.4 154.8 38.2 14.0 6.3 53 62 A P >> - 0 0 70 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.332 40.2-113.4 -60.9 150.5 35.1 16.2 6.1 54 63 A L H 3> S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 115.1 58.0 -55.5 -40.3 34.3 17.3 2.5 55 64 A W H 3> S+ 0 0 159 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 109.3 45.5 -59.8 -36.8 35.1 20.9 3.2 56 65 A K H <> S+ 0 0 77 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.903 110.9 51.6 -73.3 -42.9 38.7 19.9 4.2 57 66 A Q H X S+ 0 0 34 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.936 114.0 45.6 -56.8 -47.3 39.2 17.6 1.3 58 67 A Q H X S+ 0 0 58 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.925 111.8 50.5 -63.5 -44.1 38.1 20.3 -1.0 59 68 A N H X S+ 0 0 70 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.904 109.9 49.6 -63.8 -41.6 40.2 23.0 0.6 60 69 A L H < S+ 0 0 42 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.908 113.6 46.7 -63.1 -41.7 43.4 20.9 0.5 61 70 A K H ><>S+ 0 0 10 -4,-2.0 5,-2.5 -5,-0.3 3,-1.2 0.899 107.9 56.8 -66.9 -38.9 42.8 20.1 -3.2 62 71 A K H ><5S+ 0 0 39 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.904 103.8 52.8 -59.4 -40.5 42.1 23.8 -3.9 63 72 A E T 3<5S+ 0 0 94 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.634 113.5 45.1 -71.7 -10.4 45.5 24.9 -2.5 64 73 A K T < 5S- 0 0 101 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.317 113.6-111.9-113.7 5.8 47.1 22.3 -4.8 65 74 A G T < 5S+ 0 0 8 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.694 88.0 113.9 71.8 20.6 45.2 23.0 -8.0 66 75 A L < 0 0 0 -5,-2.5 -37,-0.4 -6,-0.2 -36,-0.2 0.320 360.0 360.0-106.3 7.2 43.5 19.7 -7.9 67 76 A F 0 0 38 -6,-0.6 -40,-0.1 -5,-0.1 16,-0.1 -0.668 360.0 360.0 -97.5 360.0 39.9 20.8 -7.3 68 !* 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 69 10 B P 0 0 184 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 38.3 24.1 -31.7 70 11 B T - 0 0 86 1,-0.0 2,-0.2 3,-0.0 21,-0.1 -0.508 360.0-158.7 -83.8 152.9 37.8 26.6 -28.8 71 12 B K - 0 0 142 -2,-0.2 2,-0.3 1,-0.1 -1,-0.0 -0.665 40.8 -64.1-119.3 177.7 39.7 29.9 -28.6 72 13 B L - 0 0 94 -2,-0.2 2,-0.3 20,-0.0 20,-0.1 -0.477 57.7-176.6 -68.3 124.5 40.5 32.2 -25.7 73 14 B E - 0 0 83 -2,-0.3 2,-0.5 18,-0.3 -3,-0.0 -0.864 21.1-127.2-120.6 160.4 37.3 33.6 -24.2 74 15 B T - 0 0 85 -2,-0.3 27,-0.2 27,-0.0 26,-0.1 -0.913 26.8-175.2-112.4 129.8 36.8 36.1 -21.3 75 16 B F - 0 0 46 25,-3.1 27,-0.4 -2,-0.5 5,-0.1 -0.886 30.0-100.0-124.4 155.0 34.5 35.3 -18.4 76 17 B P >> - 0 0 72 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.313 41.4-107.5 -66.2 156.2 33.3 37.2 -15.3 77 18 B L H >> S+ 0 0 40 1,-0.3 4,-2.7 2,-0.2 3,-1.8 0.879 116.2 60.9 -50.7 -44.2 35.1 36.5 -12.0 78 19 B D H 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.606 97.1 59.4 -67.5 -6.6 32.2 34.6 -10.6 79 20 B V H <4 S+ 0 0 47 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.662 119.9 26.8 -88.3 -17.1 32.4 32.0 -13.4 80 21 B L H X< S+ 0 0 0 -3,-1.8 3,-1.0 -4,-0.6 -2,-0.2 0.706 94.7 97.5-117.3 -30.3 36.0 31.2 -12.4 81 22 B V T 3< S- 0 0 49 -4,-2.7 53,-0.2 1,-0.3 52,-0.2 -0.455 103.8 -9.7 -70.6 133.7 36.5 31.9 -8.7 82 23 B N T 3 S+ 0 0 98 51,-2.3 2,-0.4 1,-0.2 -1,-0.3 0.848 99.1 151.7 47.5 43.5 36.3 29.0 -6.2 83 24 B T < - 0 0 22 -3,-1.0 -1,-0.2 50,-0.4 5,-0.1 -0.884 47.3-116.9-111.3 135.7 35.0 26.8 -9.1 84 25 B A >> - 0 0 15 -2,-0.4 3,-1.9 1,-0.1 4,-0.6 -0.310 27.3-115.4 -66.6 149.9 35.3 23.1 -9.4 85 26 B A G >4 S+ 0 0 5 -59,-0.3 3,-0.9 1,-0.3 -68,-0.4 0.872 116.0 51.9 -53.2 -40.5 37.3 21.7 -12.4 86 27 B E G 34 S+ 0 0 105 1,-0.2 -1,-0.3 -60,-0.1 -59,-0.1 0.618 108.9 52.3 -75.4 -9.7 34.2 20.1 -13.9 87 28 B D G <4 S+ 0 0 108 -3,-1.9 -1,-0.2 -7,-0.1 -2,-0.2 0.405 81.9 106.5-105.4 -1.9 32.2 23.3 -13.7 88 29 B L S << S- 0 0 21 -3,-0.9 -8,-0.1 -4,-0.6 3,-0.1 -0.353 84.3 -87.6 -72.2 159.7 34.6 25.7 -15.4 89 30 B P > - 0 0 28 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.279 53.2 -89.8 -63.5 157.3 33.6 26.7 -18.9 90 31 B R T 3 S+ 0 0 191 1,-0.2 -3,-0.0 -3,-0.1 -74,-0.0 -0.354 110.8 32.2 -61.8 146.1 34.7 24.5 -21.8 91 32 B G T 3 S+ 0 0 19 1,-0.2 2,-0.4 -3,-0.1 -18,-0.3 0.811 85.7 132.4 76.7 32.8 38.2 25.5 -23.2 92 33 B V < - 0 0 3 -3,-0.6 -75,-0.2 -20,-0.1 -1,-0.2 -0.961 55.0-136.8-122.8 129.5 39.8 26.7 -20.0 93 34 B D > - 0 0 46 -2,-0.4 3,-2.1 3,-0.2 6,-0.2 -0.730 17.5-153.7 -79.8 111.0 43.3 25.8 -18.7 94 35 B P G > S+ 0 0 8 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.706 91.8 58.9 -61.1 -18.9 42.5 25.3 -14.9 95 36 B S G 3 S+ 0 0 7 1,-0.2 3,-0.1 -81,-0.2 -81,-0.1 0.491 111.2 41.3 -88.0 -3.4 46.0 26.2 -14.0 96 37 B R G X + 0 0 112 -3,-2.1 3,-2.0 39,-0.1 4,-0.3 -0.267 63.6 146.8-136.9 49.2 45.7 29.7 -15.6 97 38 B K G X + 0 0 12 -3,-0.6 3,-1.9 37,-0.5 38,-0.1 0.840 69.2 66.4 -55.9 -33.4 42.2 30.9 -14.7 98 39 B E G > S+ 0 0 12 36,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.739 86.2 70.2 -61.7 -22.9 43.5 34.4 -14.6 99 40 B N G < S+ 0 0 74 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.703 94.0 57.4 -67.0 -18.9 44.1 34.3 -18.4 100 41 B Y G < S+ 0 0 21 -3,-1.9 -25,-3.1 -4,-0.3 -1,-0.3 0.231 87.1 99.4 -98.3 14.2 40.3 34.3 -18.9 101 42 B L S < S- 0 0 4 -3,-1.5 2,-0.1 -27,-0.2 -3,-0.0 -0.671 77.0-112.4 -98.2 153.5 39.6 37.6 -17.0 102 43 B S > - 0 0 31 -27,-0.4 4,-2.4 -2,-0.3 5,-0.2 -0.391 34.7-108.9 -73.1 161.8 39.1 41.0 -18.6 103 44 B D H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.892 122.0 54.2 -60.6 -35.5 41.8 43.5 -17.8 104 45 B E H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 110.7 42.6 -63.6 -46.9 39.3 45.2 -15.6 105 46 B D H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.848 112.3 54.8 -69.4 -32.2 38.5 42.1 -13.5 106 47 B F H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 6,-0.5 0.948 111.1 44.5 -64.8 -47.6 42.2 41.2 -13.4 107 48 B K H X S+ 0 0 116 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.875 114.0 51.4 -65.1 -35.9 43.1 44.6 -11.9 108 49 B A H < S+ 0 0 74 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.945 116.1 37.3 -67.8 -47.1 40.2 44.5 -9.5 109 50 B V H < S+ 0 0 26 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.855 129.4 30.2 -78.2 -32.1 40.9 41.0 -8.1 110 51 B F H < S- 0 0 12 -4,-2.5 -3,-0.2 2,-0.3 -1,-0.2 0.579 98.4-127.2-102.4 -11.9 44.8 41.2 -8.0 111 52 B G S < S+ 0 0 56 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 0.631 80.4 59.4 77.0 14.4 45.2 44.9 -7.5 112 53 B M S S- 0 0 40 -6,-0.5 -2,-0.3 -5,-0.0 -1,-0.2 -0.971 86.0 -90.9-161.9 166.6 47.5 45.4 -10.4 113 54 B T > - 0 0 65 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.265 43.1-103.1 -78.5 169.5 47.8 44.9 -14.2 114 55 B R H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.864 121.6 55.1 -61.9 -37.2 49.1 41.8 -15.9 115 56 B S H 4 S+ 0 0 89 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.884 111.3 44.7 -65.0 -37.8 52.4 43.4 -16.7 116 57 B A H >4 S+ 0 0 39 2,-0.2 3,-1.6 1,-0.2 4,-0.5 0.936 111.3 52.4 -69.8 -47.0 52.9 44.2 -13.0 117 58 B F H >< S+ 0 0 10 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.878 101.9 61.3 -56.2 -38.1 51.7 40.7 -11.9 118 59 B A T 3< S+ 0 0 65 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.718 101.5 54.1 -62.7 -20.6 54.3 39.1 -14.3 119 60 B N T < S+ 0 0 146 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.519 86.1 101.5 -92.6 -6.6 57.0 40.8 -12.3 120 61 B L S < S- 0 0 39 -3,-1.6 5,-0.1 -4,-0.5 -3,-0.0 -0.443 90.3 -93.3 -73.4 151.1 56.0 39.4 -8.9 121 62 B P >> - 0 0 69 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.393 38.2-116.9 -60.1 146.7 58.0 36.5 -7.6 122 63 B L H 3> S+ 0 0 109 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.890 115.7 57.0 -53.9 -41.4 56.2 33.3 -8.7 123 64 B W H 3> S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.862 108.0 48.2 -59.9 -31.3 55.5 32.3 -5.1 124 65 B K H <> S+ 0 0 73 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.860 109.4 51.9 -75.7 -36.9 53.7 35.6 -4.7 125 66 B Q H X S+ 0 0 40 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 112.7 46.4 -62.6 -45.7 51.7 35.1 -7.9 126 67 B Q H X S+ 0 0 73 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.907 111.5 50.2 -65.3 -43.1 50.7 31.7 -6.6 127 68 B N H X S+ 0 0 61 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.930 111.5 49.5 -60.6 -44.1 49.8 32.9 -3.1 128 69 B L H X S+ 0 0 13 -4,-2.4 4,-1.9 2,-0.2 6,-0.2 0.925 110.7 49.1 -62.0 -44.2 47.7 35.7 -4.7 129 70 B K H <>S+ 0 0 11 -4,-2.4 5,-3.1 1,-0.2 6,-0.7 0.934 113.3 47.4 -61.7 -43.5 45.8 33.2 -7.0 130 71 B K H ><5S+ 0 0 55 -4,-2.6 3,-1.3 4,-0.2 -2,-0.2 0.929 110.7 51.5 -63.4 -44.2 45.1 30.9 -4.0 131 72 B E H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 113.6 44.7 -61.3 -32.4 43.9 33.8 -1.9 132 73 B K T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.339 115.7-112.0 -95.0 5.7 41.5 35.0 -4.6 133 74 B G T < 5S+ 0 0 23 -3,-1.3 -51,-2.3 -4,-0.3 -50,-0.4 0.790 88.4 112.0 70.5 28.0 40.2 31.5 -5.4 134 75 B L < 0 0 0 -5,-3.1 -37,-0.5 -6,-0.2 -36,-0.4 0.184 360.0 360.0-118.0 15.3 41.8 31.5 -8.8 135 76 B F 0 0 40 -6,-0.7 -39,-0.1 -5,-0.1 -53,-0.1 -0.542 360.0 360.0 -84.9 360.0 44.5 28.8 -8.4