==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 22-MAR-11 3R7G . COMPND 2 MOLECULE: PROTEIN SPIRE HOMOLOG 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.KREUTZ,C.L.VIZCARRA,A.A.RODAL,A.V.TOMS,J.LU,M.E.QUINLAN,M. . 173 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 68.2 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 . 12 6.9 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 . 1 0.6 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 . 8 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 1 0 1 0 2 0 0 0 0 0 1 0 1 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 37 A R 0 0 169 0, 0.0 3,-0.1 0, 0.0 153,-0.0 0.000 360.0 360.0 360.0 150.2 19.5 -3.2 10.7 2 38 A D + 0 0 98 1,-0.2 54,-2.3 53,-0.1 2,-0.3 0.556 360.0 33.8-111.5 -12.0 18.8 0.3 9.4 3 39 A A E -A 55 0A 16 52,-0.2 2,-0.4 53,-0.1 52,-0.2 -0.996 55.0-165.5-145.1 143.5 15.8 1.5 11.4 4 40 A L E -A 54 0A 1 50,-2.3 50,-3.2 -2,-0.3 2,-0.1 -0.968 26.0-122.3-123.6 143.5 14.3 0.9 14.9 5 41 A S E > -A 53 0A 6 -2,-0.4 4,-2.0 48,-0.2 48,-0.2 -0.489 23.2-119.3 -76.7 154.4 10.8 1.8 16.0 6 42 A L H > S+ 0 0 0 46,-2.2 4,-2.6 43,-1.1 44,-0.2 0.889 117.6 58.3 -57.4 -38.8 10.4 4.2 18.8 7 43 A E H > S+ 0 0 71 42,-0.8 4,-2.2 45,-0.2 -1,-0.2 0.918 105.0 48.3 -54.7 -47.3 8.6 1.3 20.6 8 44 A E H > S+ 0 0 49 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.922 110.8 51.6 -58.6 -46.0 11.7 -0.9 20.3 9 45 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.920 109.5 48.9 -59.4 -47.6 13.9 2.0 21.6 10 46 A L H X>S+ 0 0 9 -4,-2.6 4,-1.8 2,-0.2 5,-0.7 0.903 113.7 47.2 -58.0 -43.8 11.6 2.4 24.7 11 47 A R H <5S+ 0 0 155 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.925 110.6 50.9 -64.9 -48.6 11.7 -1.3 25.4 12 48 A L H <5S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.919 119.6 35.7 -55.2 -48.1 15.4 -1.7 25.0 13 49 A Y H <5S- 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.730 91.0-149.9 -76.2 -24.6 16.1 1.2 27.4 14 50 A N T <5 + 0 0 130 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.828 69.8 80.1 50.1 36.1 13.2 0.4 29.7 15 51 A Q S - 0 0 77 1,-0.1 4,-1.5 -2,-0.1 -1,-0.1 -0.391 30.8-101.4 -86.5 172.6 14.9 12.7 27.3 19 55 A E H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.900 119.4 54.2 -63.8 -40.0 13.6 16.1 26.3 20 56 A E H > S+ 0 0 53 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.891 106.9 51.8 -63.9 -41.2 16.1 16.7 23.6 21 57 A Q H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.831 107.3 53.7 -61.4 -34.0 15.2 13.5 21.9 22 58 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.950 109.7 46.7 -65.7 -51.2 11.5 14.5 22.0 23 59 A W H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.897 115.9 48.0 -50.3 -45.3 12.2 17.9 20.3 24 60 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.876 109.4 48.0 -71.0 -43.9 14.3 16.0 17.7 25 61 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.915 114.0 50.8 -62.4 -39.2 11.9 13.2 16.8 26 62 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.941 113.9 42.0 -62.4 -52.7 9.2 15.9 16.5 27 63 A Y H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.948 118.7 45.4 -59.4 -51.0 11.2 18.1 14.2 28 64 A Q H X S+ 0 0 28 -4,-2.8 4,-1.8 2,-0.2 32,-0.4 0.886 113.0 48.6 -64.8 -41.5 12.6 15.2 12.1 29 65 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.921 111.3 50.1 -65.3 -44.5 9.2 13.4 11.8 30 66 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.872 106.3 57.8 -60.3 -36.9 7.5 16.6 10.7 31 67 A G H X S+ 0 0 21 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.926 110.5 42.3 -56.8 -47.6 10.3 17.1 8.1 32 68 A S H X S+ 0 0 35 -4,-1.8 4,-2.0 28,-0.4 -2,-0.2 0.873 113.1 51.9 -67.1 -39.1 9.5 13.7 6.5 33 69 A L H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.851 109.0 51.6 -68.9 -35.4 5.7 14.2 6.7 34 70 A R H X S+ 0 0 101 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.893 108.9 49.6 -65.0 -44.2 6.1 17.6 5.0 35 71 A A H X S+ 0 0 41 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.886 112.4 49.4 -63.4 -34.9 8.2 15.9 2.2 36 72 A A H ><>S+ 0 0 33 -4,-2.0 5,-2.2 1,-0.2 3,-0.9 0.856 105.1 55.9 -72.6 -36.0 5.4 13.3 1.8 37 73 A A H ><5S+ 0 0 39 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.825 98.2 63.9 -63.1 -35.5 2.6 15.9 1.7 38 74 A R H 3<5S+ 0 0 143 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.1 42.6 -55.2 -31.7 4.4 17.5 -1.3 39 75 A R T <<5S- 0 0 172 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.096 116.8-114.8-104.0 20.5 3.8 14.2 -3.2 40 76 A R T < 5 + 0 0 223 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.846 50.6 176.6 47.9 41.4 0.2 13.9 -1.9 41 77 A Q < - 0 0 116 -5,-2.2 -1,-0.1 -8,-0.1 -5,-0.0 -0.461 40.8 -88.2 -67.6 147.1 1.0 10.7 0.0 42 78 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.321 43.5-122.3 -54.6 135.6 -2.0 9.3 2.1 43 79 A R - 0 0 111 27,-0.1 2,-0.4 -3,-0.1 29,-0.0 -0.701 29.4-171.7 -87.3 133.7 -2.2 10.7 5.7 44 80 A H - 0 0 80 -2,-0.4 2,-0.1 18,-0.0 26,-0.0 -0.988 21.2-126.5-128.3 133.3 -2.1 8.3 8.7 45 81 A R - 0 0 73 -2,-0.4 2,-1.1 1,-0.1 20,-0.3 -0.451 31.0-114.0 -68.4 145.3 -2.7 9.0 12.3 46 82 A V + 0 0 6 29,-0.3 36,-0.2 28,-0.3 3,-0.1 -0.764 39.7 173.7 -84.0 103.3 0.1 7.9 14.7 47 83 A R - 0 0 164 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.801 62.8 -5.2 -79.3 -34.7 -1.7 5.0 16.7 48 84 A S S > S- 0 0 44 1,-0.0 3,-1.8 0, 0.0 4,-0.3 -0.972 72.6 -97.4-153.6 171.5 1.5 3.9 18.5 49 85 A A G > S+ 0 0 16 1,-0.3 3,-1.3 -2,-0.3 -43,-1.1 0.711 111.0 77.1 -63.8 -22.4 5.3 4.3 18.9 50 86 A A G 3 S+ 0 0 26 1,-0.2 -1,-0.3 -44,-0.2 -42,-0.1 0.752 87.8 58.5 -58.1 -27.7 5.7 1.3 16.7 51 87 A Q G < S+ 0 0 5 -3,-1.8 12,-2.8 -46,-0.1 2,-0.7 0.679 85.9 88.3 -78.5 -17.0 4.9 3.5 13.7 52 88 A I E < - B 0 62A 0 -3,-1.3 -46,-2.2 -4,-0.3 2,-0.5 -0.738 63.5-164.4 -89.6 117.0 7.8 5.9 14.3 53 89 A R E -AB 5 61A 89 8,-2.8 8,-2.0 -2,-0.7 2,-0.5 -0.894 6.7-160.7-107.7 121.9 11.0 4.7 12.6 54 90 A V E -AB 4 60A 0 -50,-3.2 -50,-2.3 -2,-0.5 6,-0.2 -0.900 18.8-147.8-101.1 125.2 14.3 6.2 13.6 55 91 A W E > -A 3 0A 96 4,-3.1 3,-2.3 -2,-0.5 -52,-0.2 -0.575 23.8-112.5 -97.7 158.3 16.9 5.6 10.9 56 92 A R T 3 S+ 0 0 128 -54,-2.3 95,-0.1 1,-0.3 -53,-0.1 0.808 119.6 50.9 -53.5 -36.3 20.7 5.0 11.1 57 93 A D T 3 S- 0 0 92 -55,-0.2 -1,-0.3 93,-0.1 90,-0.3 0.368 124.2-102.5 -84.0 3.2 21.3 8.4 9.4 58 94 A G S < S+ 0 0 0 -3,-2.3 88,-0.2 1,-0.3 89,-0.2 0.485 76.9 136.1 89.6 -0.2 19.0 10.2 11.9 59 95 A A - 0 0 27 87,-0.1 -4,-3.1 88,-0.0 2,-0.4 -0.454 40.7-152.8 -68.7 153.8 16.0 10.5 9.6 60 96 A V E +B 54 0A 0 -32,-0.4 -28,-0.4 -6,-0.2 2,-0.3 -0.995 16.0 179.8-131.9 126.0 12.6 9.8 11.3 61 97 A T E -B 53 0A 46 -8,-2.0 -8,-2.8 -2,-0.4 2,-0.6 -0.800 24.6-126.2-122.1 164.5 9.7 8.5 9.2 62 98 A L E -B 52 0A 34 -2,-0.3 -10,-0.2 -10,-0.2 -11,-0.1 -0.960 19.6-158.8-114.7 118.5 6.1 7.5 9.9 63 99 A A - 0 0 16 -12,-2.8 2,-0.1 -2,-0.6 3,-0.1 -0.664 29.1-104.3 -86.2 151.5 4.9 4.1 8.8 64 100 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -18,-0.1 -0.454 43.9 -98.0 -69.1 149.2 1.1 3.4 8.5 65 101 A A - 0 0 27 -20,-0.3 -20,-0.0 1,-0.1 -19,-0.0 -0.469 33.7-113.0 -65.9 142.1 -0.5 1.3 11.3 66 102 A A 0 0 107 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.684 360.0 360.0 -46.1 -24.7 -0.8 -2.4 10.4 67 103 A D 0 0 184 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.041 360.0 360.0 -98.4 360.0 -4.6 -2.0 10.4 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 69 119 A Q 0 0 194 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.6 -10.4 11.3 5.9 70 120 A C - 0 0 11 -26,-0.0 -27,-0.1 -25,-0.0 2,-0.1 -0.956 360.0-143.6-144.3 112.7 -7.5 12.6 8.0 71 121 A M >> - 0 0 89 -2,-0.4 4,-1.4 1,-0.1 3,-0.7 -0.396 25.5-117.1 -76.3 154.7 -6.6 16.3 8.5 72 122 A E H 3> S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.907 117.1 56.8 -52.2 -47.0 -3.0 17.5 8.9 73 123 A T H 3> S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.758 101.8 56.0 -58.0 -30.4 -3.9 18.7 12.4 74 124 A E H <> S+ 0 0 52 -3,-0.7 4,-2.4 2,-0.2 -28,-0.3 0.853 105.7 49.8 -73.8 -35.7 -5.0 15.1 13.4 75 125 A V H X S+ 0 0 1 -4,-1.4 4,-2.4 -3,-0.5 -29,-0.3 0.952 113.7 47.3 -62.0 -45.9 -1.6 13.7 12.4 76 126 A I H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.919 111.7 50.1 -60.2 -45.5 0.0 16.4 14.5 77 127 A E H X S+ 0 0 48 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.921 111.7 47.0 -60.9 -48.0 -2.3 15.7 17.4 78 128 A S H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.828 112.1 50.7 -65.5 -35.7 -1.6 12.0 17.4 79 129 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.899 108.2 53.0 -64.4 -44.6 2.1 12.5 17.1 80 130 A G H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.906 110.4 47.9 -57.7 -39.6 1.9 14.9 20.1 81 131 A I H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 112.5 47.3 -66.8 -47.6 0.1 12.2 22.1 82 132 A I H X S+ 0 0 13 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.879 111.0 51.3 -64.0 -40.3 2.6 9.5 21.2 83 133 A I H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.934 108.4 52.5 -62.2 -43.8 5.6 11.7 22.0 84 134 A Y H X S+ 0 0 4 -4,-2.2 4,-1.5 1,-0.2 3,-0.2 0.921 108.2 50.8 -57.6 -44.2 4.0 12.5 25.4 85 135 A K H < S+ 0 0 91 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.830 106.9 54.2 -63.3 -32.8 3.7 8.8 26.1 86 136 A A H < S+ 0 0 1 -4,-1.8 -69,-1.3 1,-0.2 3,-0.3 0.828 110.9 45.7 -67.9 -33.1 7.4 8.2 25.2 87 137 A L H < S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.765 117.5 44.9 -74.8 -24.7 8.3 10.9 27.8 88 138 A D S >< S+ 0 0 26 -4,-1.5 3,-2.0 -5,-0.2 -2,-0.2 0.359 83.4 145.7 -97.7 -1.2 5.9 9.3 30.3 89 139 A Y T 3 + 0 0 63 -4,-0.5 3,-0.1 -3,-0.3 -3,-0.1 -0.123 69.6 4.9 -51.0 124.6 7.1 5.7 29.6 90 140 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -75,-0.1 2,-0.2 0.472 95.2 132.0 84.1 2.4 7.0 3.4 32.7 91 141 A L < - 0 0 27 -3,-2.0 -1,-0.3 1,-0.1 2,-0.1 -0.571 61.5-107.3 -83.7 151.4 5.4 5.9 35.1 92 142 A K > - 0 0 142 -2,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.407 31.0-111.0 -68.9 154.4 2.5 5.0 37.3 93 143 A E T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.745 118.1 52.1 -56.2 -27.0 -0.9 6.5 36.4 94 144 A N T 3 S+ 0 0 104 68,-0.1 69,-3.4 69,-0.0 2,-0.3 0.425 99.6 72.9 -95.0 -3.5 -0.6 8.7 39.5 95 145 A E E < -C 162 0B 51 -3,-1.6 2,-0.3 67,-0.3 -4,-0.1 -0.749 61.4-162.6-109.8 163.5 2.8 10.2 38.8 96 146 A E E -C 161 0B 21 65,-2.5 65,-2.3 -2,-0.3 2,-0.2 -0.978 18.9-124.0-151.1 127.9 3.7 12.8 36.2 97 147 A R E -C 160 0B 9 -2,-0.3 2,-0.7 63,-0.2 63,-0.2 -0.530 26.2-128.2 -71.1 135.2 7.0 13.9 34.7 98 148 A E - 0 0 88 61,-2.8 61,-0.5 -2,-0.2 2,-0.3 -0.795 28.9-163.4 -86.2 115.2 7.8 17.6 35.0 99 149 A L - 0 0 8 -2,-0.7 -12,-0.0 1,-0.1 0, 0.0 -0.648 29.5 -97.6 -93.7 151.1 8.6 18.9 31.6 100 150 A S >> - 0 0 40 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.429 42.7-111.4 -60.9 145.5 10.4 22.1 30.9 101 151 A P H 3> S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.826 113.3 54.0 -56.1 -38.7 7.8 24.7 30.1 102 152 A P H 3> S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.886 112.8 45.1 -65.5 -30.4 8.6 25.2 26.4 103 153 A L H <> S+ 0 0 1 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.891 111.4 50.8 -77.5 -41.6 8.3 21.5 25.8 104 154 A E H X S+ 0 0 70 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.931 111.3 50.7 -56.1 -45.7 5.0 21.2 27.7 105 155 A Q H X S+ 0 0 113 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.877 107.5 52.5 -59.0 -42.3 3.8 24.1 25.6 106 156 A L H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.963 113.8 42.6 -56.5 -53.2 4.8 22.4 22.4 107 157 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 6,-0.2 0.881 111.3 55.4 -61.6 -39.8 2.9 19.2 23.4 108 158 A D H <>S+ 0 0 19 -4,-2.5 5,-2.3 1,-0.2 6,-0.8 0.906 113.2 41.4 -64.4 -42.0 -0.1 21.1 24.7 109 159 A H H ><5S+ 0 0 62 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.885 113.5 52.0 -74.4 -39.8 -0.5 22.9 21.4 110 160 A M H 3<5S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -30,-0.2 0.925 116.0 41.0 -61.4 -45.5 0.2 19.8 19.2 111 161 A A T 3<5S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.394 106.9-126.0 -82.9 1.7 -2.5 17.8 21.1 112 162 A N T < 5S+ 0 0 82 -3,-0.8 -3,-0.2 -4,-0.2 -4,-0.1 0.817 71.2 129.7 55.9 34.9 -5.0 20.7 21.3 113 163 A T < + 0 0 13 -5,-2.3 -4,-0.2 -6,-0.2 -1,-0.1 0.434 29.4 130.1 -98.5 2.9 -5.3 20.4 25.1 114 164 A V 0 0 69 -6,-0.8 -9,-0.0 -9,-0.1 -5,-0.0 -0.264 360.0 360.0 -58.8 136.7 -4.6 24.1 25.7 115 165 A E 0 0 184 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.892 360.0 360.0-103.5 360.0 -7.1 25.8 28.1 116 ! 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 0.0 117 192 A A 0 0 123 0, 0.0 2,-0.5 0, 0.0 -7,-0.1 0.000 360.0 360.0 360.0 114.0 -1.9 27.9 17.3 118 193 A I + 0 0 19 -9,-0.2 3,-0.1 1,-0.1 -42,-0.0 -0.590 360.0 152.2 -81.8 118.7 -0.3 25.0 15.4 119 194 A R + 0 0 185 -2,-0.5 2,-0.3 1,-0.2 -46,-0.2 0.447 58.4 31.9-125.9 3.0 -1.9 24.1 12.0 120 195 A S S >> S- 0 0 13 1,-0.1 4,-1.4 -48,-0.1 3,-0.5 -0.976 78.5-106.0-148.8 165.5 0.8 22.6 9.8 121 196 A Y H 3> S+ 0 0 7 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.885 120.1 59.5 -53.9 -39.9 3.9 20.4 10.0 122 197 A R H 3> S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 99.7 54.7 -61.9 -36.1 5.9 23.6 9.3 123 198 A D H <> S+ 0 0 38 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.859 107.2 50.4 -65.5 -40.6 4.5 25.3 12.5 124 199 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.960 110.2 50.3 -59.7 -49.8 5.8 22.4 14.6 125 200 A M H X S+ 0 0 24 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.910 107.6 53.6 -55.2 -44.9 9.2 22.6 13.0 126 201 A K H X S+ 0 0 126 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.898 109.9 47.7 -56.5 -45.0 9.4 26.4 13.7 127 202 A L H X S+ 0 0 76 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.882 113.3 48.0 -65.0 -39.8 8.7 25.8 17.3 128 203 A C H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.926 109.9 52.2 -65.9 -44.3 11.3 23.1 17.5 129 204 A A H >< S+ 0 0 7 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.864 103.7 59.3 -56.4 -36.5 13.9 25.3 15.7 130 205 A A H 3< S+ 0 0 72 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.618 89.0 71.6 -73.7 -14.7 13.2 28.1 18.3 131 206 A H T << S+ 0 0 65 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.749 87.7 80.1 -68.4 -24.4 14.3 25.8 21.2 132 207 A L S < S- 0 0 19 -3,-1.4 3,-0.2 -4,-0.4 6,-0.1 -0.634 83.7-130.5 -86.8 142.7 17.9 26.1 19.9 133 208 A P S S+ 0 0 141 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.900 107.6 39.1 -52.8 -40.4 20.1 29.2 20.7 134 209 A T S > S- 0 0 70 1,-0.1 3,-2.0 -3,-0.0 4,-0.2 -0.923 77.7-160.3-117.3 108.3 20.9 29.3 17.0 135 210 A E G > S+ 0 0 131 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.799 85.7 61.8 -59.5 -35.8 17.8 28.5 15.0 136 211 A S G 3 S+ 0 0 95 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.645 90.6 70.3 -72.6 -10.1 19.6 27.6 11.8 137 212 A D G <> S+ 0 0 86 -3,-2.0 4,-3.1 1,-0.2 5,-0.3 0.587 72.9 98.4 -75.0 -11.2 21.4 24.7 13.6 138 213 A A H <> S+ 0 0 1 -3,-1.8 4,-2.6 -4,-0.2 5,-0.4 0.855 78.2 47.1 -47.4 -53.3 18.0 22.8 13.8 139 214 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.935 120.4 37.3 -60.6 -46.7 18.4 20.4 10.8 140 215 A N H > S+ 0 0 119 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.886 119.0 48.7 -71.4 -40.5 22.0 19.3 11.7 141 216 A H H X S+ 0 0 64 -4,-3.1 4,-2.5 2,-0.2 -3,-0.2 0.950 114.0 43.9 -64.9 -49.2 21.4 19.3 15.4 142 217 A Y H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.844 113.2 52.1 -70.1 -31.9 18.1 17.3 15.4 143 218 A Q H X S+ 0 0 61 -4,-1.6 4,-2.5 -5,-0.4 -1,-0.2 0.908 110.6 49.4 -64.0 -39.7 19.6 14.9 12.8 144 219 A A H X S+ 0 0 33 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.901 107.8 53.0 -67.7 -44.4 22.6 14.3 15.1 145 220 A V H X S+ 0 0 23 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.929 113.7 42.5 -53.1 -49.1 20.4 13.7 18.2 146 221 A C H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -88,-0.3 0.864 111.5 55.3 -72.5 -35.1 18.4 11.0 16.3 147 222 A R H X S+ 0 0 119 -4,-2.5 4,-2.2 -90,-0.3 -1,-0.2 0.922 111.8 44.1 -56.6 -46.8 21.6 9.5 14.8 148 223 A A H X S+ 0 0 48 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.881 109.1 56.8 -66.7 -38.1 23.0 9.2 18.4 149 224 A L H X S+ 0 0 5 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.955 111.0 44.9 -59.9 -45.4 19.7 7.8 19.7 150 225 A F H X S+ 0 0 2 -4,-2.4 4,-2.0 -95,-0.2 -2,-0.2 0.924 112.9 47.5 -60.9 -51.4 20.0 5.0 17.0 151 226 A A H X S+ 0 0 57 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.892 113.3 49.4 -61.8 -41.6 23.7 4.1 17.5 152 227 A E H X S+ 0 0 103 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.864 109.6 50.2 -64.3 -41.4 23.3 3.9 21.3 153 228 A T H < S+ 0 0 0 -4,-1.8 3,-0.5 -5,-0.3 -1,-0.2 0.855 106.5 56.6 -68.8 -34.9 20.3 1.7 21.1 154 229 A M H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.715 99.2 60.4 -69.4 -21.4 22.1 -0.7 18.8 155 230 A E H < 0 0 169 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.808 360.0 360.0 -73.4 -30.6 24.9 -1.1 21.3 156 231 A L < 0 0 111 -4,-0.8 -143,-0.1 -3,-0.5 -144,-0.0 -0.485 360.0 360.0 -70.9 360.0 22.5 -2.5 23.9 157 !* 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 0.0 158 1704 B Y 0 0 147 0, 0.0 2,-0.4 0, 0.0 -59,-0.1 0.000 360.0 360.0 360.0 149.9 14.1 14.3 35.3 159 1705 B K - 0 0 130 -61,-0.5 -61,-2.8 2,-0.0 2,-0.4 -0.697 360.0-158.4 -89.0 132.6 11.8 15.2 38.1 160 1706 B I E +C 97 0B 76 -2,-0.4 -63,-0.2 -63,-0.2 -65,-0.0 -0.894 16.7 171.6-106.0 138.1 8.7 13.1 39.0 161 1707 B K E -C 96 0B 100 -65,-2.3 -65,-2.5 -2,-0.4 3,-0.1 -0.914 42.7 -76.3-137.1 164.9 5.8 14.7 40.9 162 1708 B P E -C 95 0B 110 0, 0.0 -67,-0.3 0, 0.0 -68,-0.1 -0.387 65.6 -87.3 -60.8 143.7 2.2 13.5 41.8 163 1709 B R - 0 0 89 -69,-3.4 2,-0.4 1,-0.1 -67,-0.1 -0.279 45.8-128.1 -54.8 132.6 -0.2 13.7 38.9 164 1710 B H > - 0 0 123 -3,-0.1 3,-1.6 1,-0.1 6,-0.4 -0.666 19.9-111.5 -87.8 131.0 -1.8 17.2 38.6 165 1711 B D T 3 S- 0 0 143 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.537 103.2 -5.6 -58.1 121.7 -5.6 17.5 38.4 166 1712 B S T 3 S+ 0 0 59 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.708 103.3 134.2 53.2 27.8 -6.2 18.8 34.9 167 1713 B G S <> S- 0 0 9 -3,-1.6 4,-2.7 1,-0.0 3,-0.2 -0.289 77.5 -77.0 -84.3-175.0 -2.5 19.1 34.1 168 1714 B I H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.892 130.6 51.3 -56.0 -45.6 -1.0 17.9 30.8 169 1715 B K H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 113.5 47.2 -57.4 -41.8 -0.9 14.2 31.7 170 1716 B A H > S+ 0 0 15 -6,-0.4 4,-1.0 -3,-0.2 -1,-0.2 0.892 110.9 49.5 -68.9 -42.8 -4.6 14.4 32.7 171 1717 B K H < S+ 0 0 33 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.899 112.7 48.7 -62.7 -36.7 -5.7 16.2 29.6 172 1718 B I H >X S+ 0 0 3 -4,-2.4 3,-1.7 -5,-0.2 4,-0.6 0.871 102.5 60.2 -73.9 -36.5 -3.9 13.7 27.4 173 1719 B S H 3< S+ 0 0 46 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.801 102.6 56.1 -58.2 -28.1 -5.4 10.6 29.2 174 1720 B M T 3< S+ 0 0 167 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.426 97.6 60.8 -84.3 -3.5 -8.8 11.9 28.1 175 1721 B K T <4 0 0 89 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.621 360.0 360.0 -94.1 -18.7 -8.0 12.1 24.4 176 1722 B T < 0 0 113 -4,-0.6 -3,-0.0 -3,-0.4 0, 0.0 -0.476 360.0 360.0-112.0 360.0 -7.4 8.4 24.1